SCHEMBL7346587

SCHEMBL7346587

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

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 6/20 0.54
ITGA2B P08514 6/20 0.54
LMNA P02545 2/20 0.39
MAPT P10636 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
GAA P10253 2/20 0.39
ALDH1A1 P00352 1/20 0.38
TSHR P16473 1/20 0.36
HTT P42858 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
POLB P06746 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 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 0.92 ITGB3 (0.54) ITGB3ITGA2BLMNAMAPTTDP1
SCHEMBL7355453 0.91 ITGB3 (0.56) ITGB3ITGA2BLMNAMAPTTDP1
SCHEMBL7350321 0.89 ITGB3 (0.51) ITGB3ITGA2BLMNAMAPTTDP1
SCHEMBL7346668 0.88 ITGB3 (0.54) ITGB3ITGA2BLMNAMAPTTDP1
SCHEMBL5163341 0.87 ITGB3 (0.70) ITGB3ITGA2BLMNAMAPTTDP1
SCHEMBL7534287 0.87 ITGB3 (0.70) ITGB3ITGA2BLMNAMAPTTDP1
SCHEMBL7351423 0.87 ITGB3 (0.56) ITGB3ITGA2BLMNAMAPTTDP1
SCHEMBL7346107 0.87 ITGB3 (0.52) ITGB3ITGA2BMAPTHTTMEN1
SCHEMBL7347440 0.86 ITGB3 (0.52) ITGB3ITGA2BLMNAMAPTTDP1
SCHEMBL7348958 0.84 ITGB3 (0.51) ITGB3ITGA2BLMNAMAPTTDP1

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