SCHEMBL7275082

SCHEMBL7275082

COC(=O)C[C@@H]1C[C@@H](CCNC(=O)c2ccc3c(c2)CCC(C#N)C3)N(CCCc2ccccc2)C1=O

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 1/20 0.38
ITGB3 P05106 1/20 0.37
ITGA2B P08514 1/20 0.37
OPRM1 P35372 3/20 0.36
OPRD1 P41143 3/20 0.36
LMNA P02545 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NAMPT P43490 3/20 0.35
RAB9A P51151 1/20 0.35
OPRK1 P41145 1/20 0.35
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7273515 0.93 MTNR1A (0.38) OPRM1OPRD1LMNANAMPT
SCHEMBL7275524 0.93 ITGB3 (0.41) CHRM4ITGB3ITGA2BOPRM1OPRD1
SCHEMBL7275558 0.86 MTNR1A (0.38) ITGB3ITGA2BOPRM1OPRD1NAMPT
SCHEMBL7286655 0.83 NAMPT (0.42) CHRM4ITGB3ITGA2BNAMPTRAB9A
SCHEMBL7273510 0.82 XIAP (0.32)
SCHEMBL7272741 0.82 NAMPT (0.42) CHRM4OPRM1OPRD1LMNANAMPT
SCHEMBL7276523 0.82 ITGB3 (0.43) CHRM4ITGB3ITGA2BOPRM1OPRD1
SCHEMBL7281190 0.81 NAMPT (0.42) CHRM4ITGB3ITGA2BOPRM1OPRD1
SCHEMBL7286896 0.81 NAMPT (0.39) CHRM4ITGB3ITGA2BSMN1; SMN2NAMPT
SCHEMBL7276437 0.81 ITGB3 (0.40) CHRM4ITGB3ITGA2BOPRM1OPRD1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0483667-B1 Cyclic imino derivatives, process for their preparation and drugs containing them THOMAE GMBH DR K (DE) 1998-02-04 EP disclosed
US-5591769-A PYRROLIDINE DERIVATIVES; ANTICOAGULANTS KARL THOMAE GMBH (DE) 1997-01-07 US disclosed
US-5541343-A ANTIAGGLOMERANTS FOR CELLS OR ANTICOAGULANTS KARL THOMAE GMBH (DE) 1996-07-30 US disclosed
EP-0483667-A2 Cyclic imino derivatives, process for their preparation and drugs containing them Dr. Karl Thomae GmbH (DE) 1992-05-06 EP disclosed