SANC00968 Thermopsine




Analog ID Similarity score SMILES

Selection options

Mcule | MolPort | All | None
MCULE-7502565895 1 C1(=O)N2CC3C4([H])CCCCN4CC(C3)C2=CC=C1
MCULE-9781868195 0.99 N12C(=O)C=CC=C1[C@@]1([C@@]3([H])N(CCC[C@@]3([H])C2)CCC1)[H]
MCULE-9044377914 0.99 [C@]12([H])N3CCC[C@@]1([H])CN1C(=O)C=CC=C1[C@@]2([H])CCC3
MCULE-1329641240 0.99 C1[C@]2([H])CN3C(=O)C=CC=C3[C@@]3([H])CCCN([C@@]23[H])CC1
MolPort-019-937-432 0.99 OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1c(O)c([C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(O)c(C(=O)CCc2ccccc2)c1O
MolPort-019-937-432 0.99 OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1c(O)c([C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(O)c(C(=O)CCc2ccccc2)c1O
MolPort-001-741-176 0.99 OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1c(O)c([C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(O)c(C(=O)CCc2ccc(O)cc2)c1O
MolPort-005-944-641 0.98 OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1c(O)ccc(C(=O)C(O)Cc2ccc(O)cc2)c1O
MCULE-8757258045 0.97 CN1CC2C3N(CC(C2)C1)C(=O)C=CC=3
MCULE-8752656620 0.97 N12CC3CN(CC(C3)C1=CC=CC2=O)CC1CCCCC1
MCULE-9751273485 0.97 N12CC3CNCC(C3)C1=CC=CC2=O
MCULE-5725021959 0.97 N12CC3CC(CN(C4CCN(C)CC4)C3)C1=CC=CC2=O
MCULE-7548423194 0.97 N12C[C@]3([H])CNC[C@](C3)([H])C1=CC=CC2=O
MCULE-5698844930 0.97 C12=CC=CC(=O)N1C[C@]1([H])CNC[C@]2([H])C1
MCULE-7110369914 0.97 N12CC3CN(CC(C3)C1=CC=CC2=O)CCCN
MCULE-8043470117 0.97 C12=CC=CC(=O)N1C[C@]1([H])CN(C)C[C@@]2([H])C1
MCULE-7780581938 0.97 N12CC3CC(CN(C4CC5CC4CC5)C3)C1=CC=CC2=O
MCULE-4139380716 0.97 N12CC3CC(CN(C(C)C)C3)C1=CC=CC2=O
MCULE-8162097963 0.97 N12CC3CC(CN(C4CCN(CC4)CCC)C3)C1=CC=CC2=O
MCULE-8680446527 0.97 N12C[C@@H]3CNC[C@@H](C3)C1=CC=CC2=O
MCULE-5998998645 0.97 N12CC3CC(CN(C4C5CC6CC4CC(C6)C5)C3)C1=CC=CC2=O
MCULE-6115392491 0.97 N12CC3CC(CN(C4CCC(CC4)C(C)(C)C)C3)C1=CC=CC2=O
MCULE-5032084818 0.97 N12CC3CC(CN(C4CCC(CC4)C)C3)C1=CC=CC2=O
MCULE-4099961145 0.96 N12CC3CC(CN(C4CCC(CC4)C4C=CC=CC=4)C3)C1=CC=CC2=O
MCULE-9230665394 0.96 N12C(=CC=CC1=O)C1CC(CN(C1)CC(F)(F)F)C2
MCULE-7921525872 0.96 O=C1N2C([C@H]3CN(CC4C5C4CCCC5)C[C@@H](C2)C3)=CC=C1
MCULE-2743008519 0.96 N12CC3CC(CN(C4CCCC4)C3)C1=CC=CC2=O
MCULE-3840228165 0.95 Cl.N12C(=CC=CC1=O)C1CC(CN(C1)CC(F)(F)F)C2
MCULE-2375265426 0.95 Cl.N12CC3CC(CN(C4CCCC4)C3)C1=CC=CC2=O
MolPort-005-945-866 0.94 OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1c(O)ccc(C(=O)[C@H](O)Cc2ccc(O)c(O)c2)c1O
MCULE-9127999155 0.92 N12CC3CN(CC(C3)C1=CC=CC2=O)CCC#N
MCULE-8933572892 0.92 N12CC3CN(CC(C3)C1=CC=CC2=O)CCC(C)C1C=CC=CC=1
MCULE-6217430917 0.92 N12CC3CN(CC(C3)C1=CC=CC2=O)CC(C)=O
MCULE-3505133301 0.92 N12CC3CN(CC(C3)C1=CC=CC2=O)CC(C)O
MCULE-6870705920 0.92 N12C[C@@]3([H])CN(C[C@@](C3)([H])C1=CC=CC2=O)CCCC#N
MCULE-2638322463 0.92 N12CC3CN(CC(C3)C1=CC=CC2=O)CCCC1=CC=CC=C1
MCULE-1747829857 0.92 C1(=O)N2CC3CN(CCO)CC(C2=CC=C1)C3
MCULE-6725518467 0.91 N12CC3CC(CN(C4CC5=C(C=CC=C5)C4)C3)C1=CC=CC2=O
MCULE-8884014186 0.91 N12CC3CN(CC(C3)C1=CC=CC2=O)CC(C1C=CC=CC=1)C1=CC=CC=C1
MCULE-3613472396 0.91 N12CC3CC(CN(C4CCN(CC4)C(C)=O)C3)C1=CC=CC2=O
MolPort-001-741-529 0.91 OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1c(O)cc(O)c(C(=O)c2ccc(O)cc2)c1O
MCULE-1429454707 0.90 N12CC3CN(CC(C3)C1=CC=CC2=O)CCC(C)CC/C=C(\C)/C
MCULE-3450499159 0.89 N12CC3CN(CC(C3)C1=CC=CC2=O)CC(C)CC/C=C(\C)/C
MCULE-4532351867 0.89 N12CC3CN(CC(C3)C1=CC=CC2=O)CC1=CC=CC=C1
MCULE-8539170830 0.88 N12CC3CC(CN(C(=O)C(F)(F)F)C3)C1=CC=CC2=O
MCULE-4770522925 0.88 N12CC3CN(CC(C3)C1=CC=CC2=O)CC1=CC=CC2C=CC=CC1=2
MCULE-9477308888 0.88 N12CC3CN(CC(C3)C1=CC=CC2=O)CCC(O)=O
MCULE-8308545787 0.88 N12CC3CC(CN(C(CCC(=O)NCC4CCCN5CCCCC54)=O)C3)C1=CC=CC2=O
MCULE-7105168832 0.88 N12C[C@]3([H])C[C@@]([H])(CN(C(CCC)=O)C3)C1=CC=CC2=O
MCULE-3239160365 0.88 O=C1N2C([C@H]3CN(CCCC4NC=CN=4)C[C@@H](C2)C3)=CC=C1
MCULE-9346120261 0.88 N12CC3CN(CC(C3)C1=CC=CC2=O)CC1C=CC2=C(C=CC=C2)C=1
MCULE-7131341561 0.88 N12CC3CN(CC(NC)=O)CC(C3)C1=CC=CC2=O
MCULE-9858904191 0.88 N12CC3CN(CC(C3)C1=CC=CC2=O)CC1=CC=C2C3C4C(=CC=CC=4C=C2)C=CC=31
MCULE-1206228989 0.87 Cl.N12CC3CN(CC(O)=O)CC(C3)C1=CC=CC2=O
MCULE-6201804549 0.87 N12CC3CN(CC(C3)C1=CC=CC2=O)CC1C=CC(=CC=1)CC
MCULE-2584772874 0.87 C(CCN1CC2CC(C1)CN1C(=O)C=CC=C12)N=C=S
MCULE-8240843106 0.87 N12C[C@@]3([H])CN(C[C@@](C3)([H])C1=CC=CC2=O)O
MCULE-9046829802 0.87 N12CC3CN(CC(C3)C1=CC=CC2=O)CC1=CC=C(C=C1)C
MCULE-7208373953 0.87 N12CC3CN(CC(NC)=O)CC(C3)C1=CC=CC2=O.Cl
MCULE-3962500448 0.87 N12CC3CC(CN(C(=O)CC4CC4)C3)C1=CC=CC2=O
MCULE-9495244707 0.87 N12CC3CN(CC(C3)C1=CC=CC2=O)CC(O)=O
MCULE-7996316261 0.87 C1C=C2N(CC3CN(N)CC2C3)C(C=1)=O
MCULE-9462767929 0.87 N12CC3CN(CC(C3)C1=CC=CC2=O)CC1=CC=CC=C1C
MCULE-6959122222 0.87 N12C[C@]3([H])C[C@@]([H])(CN(C(CCCCCN4C=CC=C4)=O)C3)C1=CC=CC2=O
MCULE-6118166829 0.86 N12CC3CN(CC(C3)C1=CC=CC2=O)CC1=CC=CC(C)=C1
MCULE-2538282445 0.86 N12C[C@]3([H])C[C@@]([H])(CN(C(=O)CCN4C=CC=C4)C3)C1=CC=CC2=O
MCULE-3462198307 0.86 CC(C1C2CC(CC2)C1)NC(C(N1C[C@@H]2C3N(C[C@@H](C2)C1)C(=O)C=CC=3)C)=O
MCULE-4006078166 0.86 N12CC3CN(CC(C3)C1=CC=CC2=O)CC(CCl)O
MCULE-6078572330 0.86 N12CC3CN(CC(C3)C1=CC=CC2=O)CC1=CC=CC=C1C(F)(F)F
MCULE-4095524877 0.85 N12CC3CC(CN(C(=O)C=C)C3)C1=CC=CC2=O
MCULE-4224526290 0.85 N12C[C@@]3([H])CN(C[C@@](C3)([H])C1=CC=CC2=O)CCC(OC)=O
MCULE-1451239512 0.85 N12CC3CC(CN(C(=O)C#C)C3)C1=CC=CC2=O
MCULE-7138450401 0.85 N12C[C@@H]3C[C@@H](CN(C(=O)C=C)C3)C1=CC=CC2=O
MCULE-2126062162 0.85 C=CC(N1C[C@@H]2C3N(C[C@@H](C2)C1)C(=O)C=CC=3)=O
MCULE-7514243987 0.85 N12CC3CC(CN(C(CCC(NCCC4C=CC=CC=4)=O)=O)C3)C1=CC=CC2=O
MCULE-4198259483 0.85 N12C[C@]3([H])C[C@@]([H])(CN(C(=O)CC4(CCCCC4)N4C=CC=C4)C3)C1=CC=CC2=O
MCULE-9033803716 0.85 N12CC3CN(CC(C3)C1=CC=CC2=O)CCC(OC)=O
MCULE-9613369117 0.85 N12CC3CC(CN(C(=O)CC4(CCCCC4)N4C=CC=C4)C3)C1=CC=CC2=O
MCULE-4548683291 0.85 N12CC3CN(CC(C3)C1=CC=CC2=O)CC1C=CC(=CC=1)N(=O)=O
MCULE-2156428034 0.85 C1(=O)N2CC3CN(C(=S)N)CC(C2=CC=C1)C3
MCULE-7884760120 0.85 N12C[C@@H]3CN(C[C@@H](C3)C1=CC=CC2=O)CCC(OC)=O
MCULE-1910763440 0.85 N12CC3CC(CN(C(N)=O)C3)C1=CC=CC2=O
MCULE-8342878891 0.84 C1C=C2N(C(=O)C=1)CC1CC2CN(C2=CC=C(C=O)C=C2)C1
MCULE-3749693226 0.84 N12C[C@H]3C[C@@H](CN(C(=O)C(Cl)(Cl)Cl)C3)C1=CC=CC2=O
MCULE-2160348844 0.84 N12C[C@]3([H])C[C@@]([H])(CN(C(NCCCCCCCCCCCC)=O)C3)C1=CC=CC2=O
MCULE-1256020629 0.84 N12CC3CC(CN(C(=S)NC4CCCCC4)C3)C1=CC=CC2=O
MCULE-2972198193 0.84 N12CC3CN(CC(C3)C1=CC=CC2=O)CC1C=CC(=CC=1)N(CC)CC
MCULE-3263484927 0.84 N12CC3CN(CC(C3)C1=CC=CC2=O)CC1=CC=C(C=C1)O
MCULE-1183303101 0.84 N12CC3CC(CN(C(=S)NC(C)C45CC6CC(CC(C6)C4)C5)C3)C1=CC=CC2=O
MCULE-9805152621 0.84 N12CC3CC(CN(C4CCOCC4)C3)C1=CC=CC2=O
MCULE-1960290212 0.84 N12CC3CN(CC(C3)C1=CC=CC2=O)CC1=CC(C)=CC=C1C
MCULE-3348958170 0.84 N12CC3CC(CN(C(NC)=S)C3)C1=CC=CC2=O
MCULE-2810200009 0.84 N12C[C@@H]3C[C@@H](CN(C(=O)C(CC)C4=CC=CC=C4)C3)C1=CC=CC2=O
MCULE-1527560697 0.84 N12CC3CN(CC(C3)C1=CC=CC2=O)CC1C=CC(=CC=1)F
MCULE-7857428456 0.84 N12CC3CN(CC(C3)C1=CC=CC2=O)CC1=CC=C(C=C1)N(C)C
MCULE-1828604263 0.84 O=C(N1C[C@@H]2C3N(C[C@@H](C2)C1)C(=O)C=CC=3)CC1=CC2=C(C=CC=C2)C=C1
MCULE-5844141708 0.84 N12CC3CN(CC(C3)C1=CC=CC2=O)CC1=CC=CC=C1N(=O)=O
MCULE-6674638541 0.84 N12CC3CN(CC(C3)C1=CC=CC2=O)CCC1C(C)(C)CCCC=1C
MCULE-5121397685 0.83 N12CC3CN(CC(C3)C1=CC=CC2=O)CC1=CC=CC(O)=C1
MCULE-5242763904 0.83 N12CC3CN(CC(C3)C1=CC=CC2=O)CC1=CC=CN=C1
MCULE-3317634974 0.83 N12CC3([H])CNCC(C3)([H])C1=CC=C(Br)C2=O
MCULE-8671102271 0.83 N12CC3CN(CC(C3)C1=CC=CC2=O)CC1C=CC(=CC=1)Br
MCULE-1372259811 0.83 N12CC3CN(CC(C3)C1=CC=CC2=O)CC1=CC=NC2C=CC=CC1=2
MCULE-7852666724 0.83 N12CC3CC(CN(C4CCOCC4)C3)C1=CC=CC2=O.Cl
MCULE-1078436036 0.83 N12CC3CN(CC(C3)C1=CC=CC2=O)CC1=CC=CC=C1O
MCULE-7431744059 0.83 O=C(C(C)(C)C)N1CC[C@@H](CC(=O)O)[C@H](C1)CCN1C[C@@H]2C3=CC=CC(N3C[C@@H](C2)C1)=O
MCULE-2534678100 0.83 N12CC3CC(CN(C(=O)CCN4C5=CC=CC=C5C=C4)C3)C1=CC=CC2=O
MCULE-6766683778 0.83 O=C(CC(C)(C)C)N1CC[C@@H](CC(=O)O)[C@H](C1)CCN1C[C@@H]2C3=CC=CC(N3C[C@@H](C2)C1)=O
MCULE-6455078698 0.83 N12CC3CC(CN(C(=O)NC(C)C)C3)C1=CC=CC2=O
MCULE-3537245528 0.83 N12CC3CN(CC(C3)C1=CC=CC2=O)CC1C=CC(=CC=1)C1=CC=CC=C1
MCULE-4146340860 0.83 N12CC3CC(CN(C(NCCCC)=S)C3)C1=CC=CC2=O
MCULE-3363438646 0.83 N12CC3CN(CC(C3)C1=CC=CC2=O)N=O
MCULE-5373578489 0.83 N12CC3CC(CN(C(NCC)=S)C3)C1=CC=CC2=O
MCULE-1555637632 0.83 N12CC3CC(CN(C(=S)NC4CC4)C3)C1=CC=CC2=O
MCULE-6847919802 0.83 N12CC3CN(CC(C3)C1=CC=CC2=O)CC1=CC=CC(=C1)N(=O)=O
MCULE-2477060293 0.83 CC1(C(CC(N2C[C@@H]3C4N(C[C@@H](C3)C2)C(=O)C=CC=4)=O)CC1O)C
MCULE-3347816361 0.83 N12CC3CN(CC(C3)C1=CC=CC2=O)CC1=CC=CC(F)=C1
MCULE-1997658359 0.83 N12CC3CN(CC(C3)C1=CC=CC2=O)CC1=CC=CC=C1Br
MCULE-7455602875 0.83 N12C[C@]3([H])C[C@@]([H])(CN(C(=O)N(C)C)C3)C1=CC=CC2=O
MCULE-5865454111 0.83 N12CC3CN(CC(C3)C1=CC=CC2=O)CC1=CC=CC=C1F
MCULE-2661953426 0.83 N12CC3CN(CC(C3)C1=CC=CC2=O)CC1=CC=C(C=C1)Cl
MCULE-2786586898 0.83 CN1C(=O)C(C(N2C[C@@H]3C4N(C[C@@H](C3)C2)C(=O)C=CC=4)=O)(C)CC1
MCULE-8834587504 0.83 N12C[C@@H]3CN(C[C@H](C3)C1=CC=CC2=O)N=O
MCULE-9481071062 0.83 NS(CCCN1C[C@@H]2C3N(C[C@@H](C2)C1)C(=O)C=CC=3)(=O)=O
MCULE-9939058157 0.83 N12C[C@@]3([H])CN(C[C@@](C3)([H])C1=CC=CC2=O)N=O
MCULE-6369169129 0.83 N12CC3CN(CC(C3)C1=CC=CC2=O)CC(OC)=O
MCULE-6002486696 0.82 N12CC3CN(CC(C3)C1=CC=CC2=O)CC1C(O)=CC=C2C=CC=CC=12
MCULE-9408107530 0.82 N12CC3CNCC(C3)C1=CC=C(N(=O)=O)C2=O
MCULE-5171885432 0.82 N12CC3CN(CC(C3)C1=CC=CC2=O)CC(=O)C1C=CC(=CC=1)Cl
MCULE-2124875155 0.82 N12CC3CC(CN(C(NCCC4=CC=CC=C4)=S)C3)C1=CC=CC2=O
MCULE-8522137591 0.82 N12CC3CN(CC(C3)C1=CC=CC2=O)CC1C=CC(=CC=1)C1=CC=CC=C1.Cl
MCULE-8885467733 0.82 N12C[C@@]3([H])CN(C[C@@](C3)([H])C1=CC=CC2=O)CC(CSCCCCCCCC)O
MCULE-5610301747 0.82 N12CC3CN(CC(C3)C1=CC=CC2=O)CC1C2C=CC=CC=2C(=C2C=CC=CC=12)Cl
MCULE-9134970017 0.82 N12CC3CN(CC(C3)C1=CC=CC2=O)CC1C(=CC=CC=1F)F
MCULE-9283925972 0.82 ClC1=C(N2C[C@@H]3C4N(C[C@@H](C3)C2)C(=O)C=CC=4)C(Cl)=CN=C1
MCULE-7387746275 0.82 N12CC3CN(CC(C3)C1=CC=CC2=O)CC(=O)C1C=CC(=CC=1)Br
MCULE-9852618029 0.82 COC([C@H]1C[C@@H](CN2C[C@@H]3C4N(C[C@@H](C3)C2)C(=O)C=CC=4)CC1)=O
MCULE-2260394655 0.82 O[C@H]1[C@H](CC(N2C[C@@H]3C4N(C[C@@H](C3)C2)C(=O)C=CC=4)=O)CCC1
MCULE-4858066128 0.82 N12C[C@@H]3C[C@@H](CN(C(=O)CCC(C4=CC=CC=C4)=O)C3)C1=CC=CC2=O
MCULE-8486903627 0.82 N12CC3CC(CN(C4N=CC=CN=4)C3)C1=CC=CC2=O
MCULE-2709740428 0.82 N12CC3CN(CC(C3)C1=CC=CC2=O)CC1=CC=CC=C1Cl
MCULE-1073677548 0.82 N12C[C@H]3C[C@@H](CN(C(=O)C(CC)NC(C)=O)C3)C1=CC=CC2=O
MCULE-9931207191 0.82 N12C[C@H]3C[C@@H](CN(C(=O)C(C(C)C)NC(C)=O)C3)C1=CC=CC2=O
MCULE-2436252148 0.82 N12CC3CC(CN(C(=O)CC(C4C=CC=CC=4)C4=CC=CC=C4)C3)C1=CC=CC2=O
MCULE-5503009903 0.82 N12C[C@H]3C[C@@H](CN(C(=O)C(CC(C)C)NC(C)=O)C3)C1=CC=CC2=O
MCULE-3221557253 0.82 N12CC3CN(CC(C3)C1=CC=CC2=O)CC1=CC=CC(Br)=C1
MolPort-006-668-336 0.82 OC[C@H]1O[C@H]([C@H](OC(=O)c2ccc(O)cc2)[C@@H](O)[C@@H]1O)c1c(O)cc(O)c(C(=O)c2ccc(O)cc2)c1O
MCULE-1656564952 0.81 N12CC3CC(CN(C(COC)=O)C3)C1=CC=CC2=O
MCULE-4510309635 0.81 N12CC3CC(CN(C(=O)C4CCCCC4C(O)=O)C3)C1=CC=CC2=O
MCULE-1360578270 0.81 N12CC3CN(CC(C3)C1=CC=CC2=O)CC1C=CC(=CC=1)NC(C)=O
MCULE-3861596392 0.81 N12CC3CC(CN(C(CCCC(O)=O)=O)C3)C1=CC=CC2=O
MCULE-4163100556 0.81 N12C[C@]3([H])C[C@@]([H])(CN(C(NCCC4C=CC=CC=4)=O)C3)C1=CC=CC2=O
MCULE-9852922694 0.81 C12CN(CC(=O)NC3=CC=C(N)C=C3)CC(C1)C1=CC=CC(=O)N1C2
MCULE-8023049298 0.81 N12CC3CN(CC(C3)C1=CC=CC2=O)CC1C=CC(=CC=1)OC
MCULE-2310431771 0.81 N12CC3CC(CN(C(=O)C(CC(C)C)N4C=CC=C4)C3)C1=CC=CC2=O
MCULE-5719993333 0.81 N12CC3CN(CC(C3)C1=CC=CC2=O)CC1=CCC2C(C)(C)C1C2
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