SCHEMBL7355453

SCHEMBL7355453

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

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 6/20 0.56
ITGA2B P08514 6/20 0.56
GAA P10253 1/20 0.40
LMNA P02545 2/20 0.38
MAPT P10636 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
ALDH1A1 P00352 3/20 0.37
HTT P42858 2/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
TSHR P16473 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
RAB9A P51151 1/20 0.34

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
SCHEMBL7353843 0.91 ITGB3 (0.54) ITGB3ITGA2BGAALMNAMAPT
SCHEMBL7346587 0.91 ITGB3 (0.54) ITGB3ITGA2BGAALMNAMAPT
SCHEMBL7347060 0.90 ITGB3 (0.69) ITGB3ITGA2BMAPTALDH1A1MEN1
SCHEMBL7350321 0.87 ITGB3 (0.51) ITGB3ITGA2BGAALMNAMAPT
SCHEMBL7346668 0.86 ITGB3 (0.54) ITGB3ITGA2BGAALMNAMAPT
SCHEMBL7534287 0.85 ITGB3 (0.70) ITGB3ITGA2BGAALMNAMAPT
SCHEMBL7351423 0.85 ITGB3 (0.56) ITGB3ITGA2BGAALMNAMAPT
SCHEMBL5163341 0.85 ITGB3 (0.70) ITGB3ITGA2BGAALMNAMAPT
SCHEMBL7347440 0.84 ITGB3 (0.52) ITGB3ITGA2BGAALMNAMAPT
SCHEMBL7355439 0.84 ITGB3 (0.79) ITGB3ITGA2BGAA

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