SCHEMBL7345363

SCHEMBL7345363

CCOC(=O)C(CNC(=O)CCC(=O)Nc1ccc(C(=N)N)cc1)c1c(F)c(F)c(F)c(F)c1F

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 10/20 0.55
ITGA2B P08514 10/20 0.55
GAA P10253 1/20 0.48
MAPT P10636 2/20 0.45
MEN1 O00255 1/20 0.45
CASP3 P42574 1/20 0.45
KMT2A Q03164 1/20 0.45
TRPV1 Q8NER1 1/20 0.45
SENP7 Q9BQF6 1/20 0.45
LMNA P02545 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
TSHR P16473 1/20 0.43

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
SCHEMBL7351950 0.86 ITGB3 (0.63) ITGB3ITGA2B
SCHEMBL7421564 0.86 ITGB3 (0.50) ITGB3ITGA2BGAAMAPTMEN1
SCHEMBL7348941 0.83 ITGB3 (0.57) ITGB3ITGA2BGAAMAPTLMNA
SCHEMBL7347870 0.83 ITGB3 (0.57) ITGB3ITGA2BGAAMAPTLMNA
SCHEMBL6976784 0.82 POLB (0.52) ITGB3ITGA2BGAAMAPT
SCHEMBL6976581 0.81 ITGB3 (0.48) ITGB3ITGA2BGAAMAPT
SCHEMBL6978796 0.80 ITGB3 (0.48) ITGB3ITGA2BGAAMAPTTSHR
SCHEMBL7353542 0.76 ITGB3 (0.69) ITGB3ITGA2BGAAMAPTLMNA
SCHEMBL13714942 0.75 ITGB3 (0.70) ITGB3ITGA2B
SCHEMBL7347948 0.74 ITGB3 (0.69) 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 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