SCHEMBL7272746

SCHEMBL7272746

NCC1Cc2ccc(C(=O)NCC[C@@H]3C[C@@H](CC(=O)O)C(=O)N3CCCc3ccccc3)cc2C1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 8/20 0.44
ITGA2B P08514 7/20 0.44
CHRM4 P08173 1/20 0.40
OPRM1 P35372 1/20 0.37
OPRD1 P41143 1/20 0.37
OPRK1 P41145 1/20 0.37
ITGAV P06756 1/20 0.36
NAMPT P43490 4/20 0.36
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
KDM1A O60341 1/20 0.35
KLF5 Q13887 1/20 0.35
DRD4 P21917 1/20 0.35

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
Water SCHEMBL7281668 0.91 ITGB3 (0.38) ITGB3ITGA2BOPRM1OPRD1OPRK1
SCHEMBL7276523 0.88 ITGB3 (0.43) ITGB3ITGA2BCHRM4OPRM1OPRD1
SCHEMBL7274101 0.87 ITGB3 (0.41) ITGB3ITGA2BCHRM4OPRM1OPRD1
SCHEMBL7277017 0.86 ITGB3 (0.47) ITGB3ITGA2BCHRM4OPRM1OPRD1
Water SCHEMBL7281582 0.85 ITGB3 (0.41) ITGB3ITGA2BCHRM4OPRM1OPRD1
SCHEMBL7277096 0.85 ITGB3 (0.43) ITGB3ITGA2BCHRM4ITGAVNAMPT
SCHEMBL7277328 0.85 ITGB3 (0.49) ITGB3ITGA2BCHRM4ITGAVNAMPT
SCHEMBL7275524 0.84 ITGB3 (0.41) ITGB3ITGA2BCHRM4OPRM1OPRD1
SCHEMBL7274663 0.84 ITGB3 (0.40) ITGB3ITGA2BOPRM1OPRD1ITGAV
SCHEMBL7275380 0.83 ITGB3 (0.47) ITGB3ITGA2BCHRM4ITGAVDRD4

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