SCHEMBL7348945

SCHEMBL7348945

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

nearest known ligand 0.75

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 14/20 0.75
ITGA2B P08514 14/20 0.75
GAA P10253 1/20 0.51

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
SCHEMBL7346311 0.94 ITGB3 (0.71) ITGB3ITGA2B
SCHEMBL7353877 0.92 ITGB3 (0.67) ITGB3ITGA2B
SCHEMBL7352233 0.91 ITGB3 (0.74) ITGB3ITGA2B
SCHEMBL7344691 0.90 ITGB3 (0.76) ITGB3ITGA2B
SCHEMBL19236121 0.90 ITGB3 (0.74) ITGB3ITGA2B
SCHEMBL7346593 0.90 ITGB3 (0.74) ITGB3ITGA2B
SCHEMBL7350117 0.89 ITGB3 (0.65) ITGB3ITGA2B
SCHEMBL7350040 0.88 ITGB3 (0.61) ITGB3ITGA2B
SCHEMBL7349227 0.86 ITGB3 (0.61) ITGB3ITGA2B
SCHEMBL7346530 0.86 ITGB3 (0.73) ITGB3ITGA2B

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