SCHEMBL7348941

SCHEMBL7348941

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

nearest known ligand 0.57

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 12/20 0.57
ITGA2B P08514 12/20 0.57
GAA P10253 1/20 0.51
LMNA P02545 1/20 0.48
MAPT P10636 1/20 0.48
TDP1 Q9NUW8 1/20 0.48

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
SCHEMBL7347870 0.88 ITGB3 (0.57) ITGB3ITGA2BGAALMNAMAPT
SCHEMBL7345363 0.83 ITGB3 (0.55) ITGB3ITGA2BGAALMNAMAPT
SCHEMBL6976784 0.81 POLB (0.52) ITGB3ITGA2BGAAMAPT
SCHEMBL7421564 0.81 ITGB3 (0.50) ITGB3ITGA2BGAALMNAMAPT
SCHEMBL7353542 0.81 ITGB3 (0.69) ITGB3ITGA2BGAALMNAMAPT
SCHEMBL13714942 0.80 ITGB3 (0.70) ITGB3ITGA2B
SCHEMBL6976581 0.80 ITGB3 (0.48) ITGB3ITGA2BGAAMAPT
SCHEMBL7348956 0.80 LMNA (0.44) ITGB3ITGA2BGAALMNAMAPT
SCHEMBL7348945 0.79 ITGB3 (0.75) ITGB3ITGA2BGAA
SCHEMBL6978796 0.79 ITGB3 (0.48) ITGB3ITGA2BGAAMAPT

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 8 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
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