SCHEMBL7347358

SCHEMBL7347358

CCOC(=O)CC(C)NC(=O)C1CC1C(=O)Nc1ccc(C(=N)N)cc1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 3/20 0.52
ITGA2B P08514 3/20 0.52
F2 P00734 7/20 0.44
F10 P00742 4/20 0.44
F7 P08709 2/20 0.43
RAB9A P51151 3/20 0.42
PLAU P00749 2/20 0.41
HPN P05981 2/20 0.41
PRSS1 P07477 2/20 0.40
HTT P42858 1/20 0.40
ALDH1A1 P00352 2/20 0.40
NPC1 O15118 1/20 0.39
PRSS2 P07478 1/20 0.39
PRSS3 P35030 1/20 0.39
TMPRSS6 Q8IU80 1/20 0.39
ST14 Q9Y5Y6 1/20 0.39
TSHR P16473 1/20 0.39
KLK1 P06870 1/20 0.39
KLK5 Q9Y337 1/20 0.39

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
SCHEMBL7420620 0.86 ITGB3 (0.64) ITGB3ITGA2BF2F7
SCHEMBL7854561 0.86 ITGB3 (0.48) ITGB3ITGA2BF2F7RAB9A
SCHEMBL9559140 0.85 ITGB3 (0.51) ITGB3ITGA2BF2F10F7
SCHEMBL9440351 0.82 RAB9A (0.37) ITGB3ITGA2BRAB9AHTTALDH1A1
SCHEMBL9558494 0.81 ITGB3 (0.51) ITGB3ITGA2BF2F10F7
SCHEMBL7086286 0.81 ITGB3 (0.54) ITGB3ITGA2BF2F10F7
SCHEMBL7086294 0.81 ITGB3 (0.54) ITGB3ITGA2BF2F10F7
SCHEMBL7346593 0.81 ITGB3 (0.74) ITGB3ITGA2B
SCHEMBL19236121 0.81 ITGB3 (0.74) ITGB3ITGA2B
SCHEMBL9558994 0.78 F2 (0.53) ITGB3ITGA2BF2F10F7

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
US-5973003-A TREATMENT OF THROMBOSIS, STROKE, MYOCARDIAL INFARCTION, INFLAMMATION AND ARTERIOSCLEROSIS G. D. SEARLE & CO. (US) 1999-10-26 US claimed
EP-0614360-B1 SUBSTITUTED BETA-AMINO ACID DERIVATIVES USEFUL AS PLATELET AGGREGATION INHIBITORS SEARLE & CO (US) 1997-03-19 EP claimed
EP-0542708-A1 Substituted B-amino acid derivatives useful as platelet aggregation inhibitors MONSANTO COMPANY (US) 1993-05-19 EP claimed
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