SCHEMBL7355439

SCHEMBL7355439

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

nearest known ligand 0.79

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 14/20 0.79
ITGA2B P08514 14/20 0.79
GAA P10253 1/20 0.45

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
SCHEMBL7346572 0.90 ITGB3 (0.77) ITGB3ITGA2B
SCHEMBL7353828 0.90 ITGB3 (0.77) ITGB3ITGA2B
SCHEMBL7347039 0.88 ITGB3 (1.00) ITGB3ITGA2B
SCHEMBL7350314 0.86 ITGB3 (0.70) ITGB3ITGA2B
SCHEMBL7346651 0.86 ITGB3 (0.77) ITGB3ITGA2B
SCHEMBL7351416 0.85 ITGB3 (0.81) ITGB3ITGA2B
Xemilofiban SCHEMBL50663 0.85 ITGB3 (1.00) ITGB3ITGA2B
Xemilofiban SCHEMBL5163315 0.85 ITGB3 (1.00) ITGB3ITGA2B
Xemilofiban SCHEMBL609244 0.84 ITGB3 (0.98) ITGB3ITGA2B
SCHEMBL7347420 0.84 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