SCHEMBL7352233

SCHEMBL7352233

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

nearest known ligand 0.74

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 14/20 0.74
ITGA2B P08514 14/20 0.74
LMNA P02545 1/20 0.45
MAPT P10636 1/20 0.45
TDP1 Q9NUW8 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
SCHEMBL7348945 0.91 ITGB3 (0.75) ITGB3ITGA2B
SCHEMBL7346311 0.90 ITGB3 (0.71) ITGB3ITGA2BLMNAMAPTTDP1
SCHEMBL7353877 0.87 ITGB3 (0.67) ITGB3ITGA2BLMNAMAPTTDP1
SCHEMBL7346530 0.86 ITGB3 (0.73) ITGB3ITGA2B
SCHEMBL7352162 0.85 ITGB3 (1.00) ITGB3ITGA2B
SCHEMBL7352241 0.84 ITGB3 (0.52) ITGB3ITGA2BLMNAMAPTTDP1
SCHEMBL7344691 0.83 ITGB3 (0.76) ITGB3ITGA2B
SCHEMBL7346593 0.83 ITGB3 (0.74) ITGB3ITGA2BLMNAMAPTTDP1
SCHEMBL19236121 0.83 ITGB3 (0.74) ITGB3ITGA2BLMNAMAPTTDP1
SCHEMBL7350117 0.81 ITGB3 (0.65) 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 10 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 claimed
EP-0614360-B1 SUBSTITUTED BETA-AMINO ACID DERIVATIVES USEFUL AS PLATELET AGGREGATION INHIBITORS SEARLE & CO (US) 1997-03-19 EP claimed
US-5344957-A Amidinoiphenyl-substituted G.D. SEARLE & CO. (US) 1994-09-06 US claimed
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