SCHEMBL7353535

SCHEMBL7353535

CCC(CNC(=O)CCC(=O)Nc1ccc(C(=N)N)cc1)C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 14/20 0.62
ITGA2B P08514 14/20 0.62

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
SCHEMBL7347948 0.86 ITGB3 (0.69) ITGB3ITGA2B
SCHEMBL7347363 0.85 ITGB3 (0.64) ITGB3ITGA2B
SCHEMBL13714942 0.82 ITGB3 (0.70) ITGB3ITGA2B
SCHEMBL7854943 0.81 ITGB3 (0.56) ITGB3ITGA2B
SCHEMBL7348415 0.80 ITGB3 (0.47) ITGB3ITGA2B
SCHEMBL8906274 0.80 ITGB3 (0.66) ITGB3ITGA2B
SCHEMBL7348941 0.79 ITGB3 (0.57) ITGB3ITGA2B
SCHEMBL7347870 0.79 ITGB3 (0.57) ITGB3ITGA2B
SCHEMBL7353573 0.79 POLB (0.40) ITGB3ITGA2B
SCHEMBL7351950 0.78 ITGB3 (0.63) 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
US-5344957-A Amidinoiphenyl-substituted G.D. SEARLE & CO. (US) 1994-09-06 US disclosed
US-5239113-A Anticoagulants MONSANTO COMPANY (US) 1993-08-24 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