SCHEMBL7414815

SCHEMBL7414815

CC(C)(C)OC(=O)C[C@H](NC(=O)C1CC1C(=O)Nc1ccc(C(=N)N)cc1)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 12/20 0.50
ITGA2B P08514 12/20 0.50
F7 P08709 6/20 0.43
F2 P00734 4/20 0.43

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
SCHEMBL7417191 1.00 ITGB3 (0.50) ITGB3ITGA2BF7F2
SCHEMBL9559140 0.88 ITGB3 (0.51) ITGB3ITGA2BF7F2
SCHEMBL7344449 0.86 ITGB3 (0.66) ITGB3ITGA2BF7F2
SCHEMBL7352353 0.86 ITGB3 (0.66) ITGB3ITGA2BF7F2
SCHEMBL9558494 0.84 ITGB3 (0.51) ITGB3ITGA2BF7F2
SCHEMBL9558976 0.82 ITGB3 (0.66) ITGB3ITGA2BF7F2
SCHEMBL9558989 0.81 F2 (0.51) ITGB3ITGA2BF7F2
SCHEMBL9558994 0.81 F2 (0.53) ITGB3ITGA2BF7F2
SCHEMBL7417189 0.80 F2 (0.43) ITGB3ITGA2BF7F2
SCHEMBL8504027 0.80 F2 (0.43) ITGB3ITGA2BF7F2

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 5 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-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