SCHEMBL7353167

SCHEMBL7353167

CCOC(=O)CC(NC(=O)CCC(=O)Nc1ccc(C(=N)N)cc1)c1ccccc1

nearest known ligand 0.75

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 19/20 0.75
ITGA2B P08514 19/20 0.75
F2 P00734 1/20 0.53

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
SCHEMBL6984596 0.89 ITGB3 (0.76) ITGB3ITGA2BF2
SCHEMBL9558957 0.88 ITGB3 (0.58) ITGB3ITGA2BF2
SCHEMBL7421569 0.87 ITGB3 (0.64) ITGB3ITGA2B
SCHEMBL7178442 0.86 ITGB3 (1.00) ITGB3ITGA2B
SCHEMBL6981695 0.85 ITGB3 (0.64) ITGB3ITGA2B
SCHEMBL9559169 0.85 ITGB3 (0.54) ITGB3ITGA2BF2
SCHEMBL9559116 0.85 ITGB3 (0.58) ITGB3ITGA2BF2
SCHEMBL7348945 0.85 ITGB3 (0.75) ITGB3ITGA2B
SCHEMBL9558952 0.85 ITGB3 (0.54) ITGB3ITGA2BF2
SCHEMBL9558537 0.84 ITGB3 (0.53) ITGB3ITGA2BF2

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0542708-B1 Substituted beta-amino acid derivatives useful as platelet aggregation inhibitors MONSANTO CO (US) 2001-05-30 EP disclosed
US-5973003-A TREATMENT OF THROMBOSIS, STROKE, MYOCARDIAL INFARCTION, INFLAMMATION AND ARTERIOSCLEROSIS G. D. SEARLE & CO. (US) 1999-10-26 US disclosed
EP-0614360-B1 SUBSTITUTED BETA-AMINO ACID DERIVATIVES USEFUL AS PLATELET AGGREGATION INHIBITORS SEARLE & CO (US) 1997-03-19 EP disclosed
EP-0614360-A1 SUBSTITUTED -g(b)-AMINO ACID DERIVATIVES USEFUL AS PLATELET AGGREGATION INHIBITORS. SEARLE & CO (US) 1994-09-14 EP disclosed
US-5344957-A Amidinoiphenyl-substituted G.D. SEARLE & CO. (US) 1994-09-06 US disclosed
EP-0542708-A1 Substituted B-amino acid derivatives useful as platelet aggregation inhibitors MONSANTO COMPANY (US) 1993-05-19 EP disclosed
WO-1993007867-A1 SUBSTITUTED β-AMINO ACID DERIVATIVES USEFUL AS PLATELET AGGREGATION INHIBITORS G.D. SEARLE & CO. (US) 1993-04-29 WO disclosed