SCHEMBL7363494

SCHEMBL7363494

CC(C)(C(=O)O)N1CC(=O)N(Cc2ccc(F)cc2F)c2ccc(OCCCCCN)cc2C1=O

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRM5 P08912 1/20 0.38
ITGB3 P05106 4/20 0.38
ITGA2B P08514 4/20 0.38
ALOX5AP P20292 1/20 0.34
CA12 O43570 2/20 0.34
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
CA9 Q16790 2/20 0.34
CPB2 Q96IY4 1/20 0.34
HDAC1 Q13547 6/20 0.34
EDNRB P24530 1/20 0.33
EDNRA P25101 1/20 0.33
HRH2 P25021 2/20 0.33
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL7362405 0.88 CHRM5 (0.43) CHRM5CPB2EDNRBEDNRAALDH1A1
SCHEMBL7361583 0.87 PPARG (0.33) CHRM5CPB2EDNRBEDNRAALDH1A1
SCHEMBL7353724 0.85 ITGB3 (0.41) CHRM5ITGB3ITGA2BEDNRBEDNRA
SCHEMBL7355543 0.84 ITGB3 (0.39) CHRM5ITGB3ITGA2B
SCHEMBL7363490 0.84 ITGB3 (0.37) CHRM5ITGB3ITGA2BHDAC1EDNRB
SCHEMBL7356283 0.84 ITGB3 (0.43) CHRM5ITGB3ITGA2BHDAC1
SCHEMBL7363499 0.83 ITGB3 (0.40) CHRM5ITGB3ITGA2BHDAC1EDNRB
SCHEMBL7358287 0.83 HDAC1 (0.36) ITGB3ITGA2BHDAC1
SCHEMBL7362403 0.72 CHRM5 (0.38) CHRM5EDNRBEDNRAALDH1A1
SCHEMBL7363380 0.71 ITGB3 (0.40) CHRM5ITGB3ITGA2B

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0610334-B1 NONPEPTIDYL INTEGRIN INHIBITORS HAVING SPECIFICITY FOR THE GPII B III A RECEPTOR GENENTECH INC (US) 1996-01-24 EP claimed
EP-0610334-A1 NONPEPTIDYL INTEGRIN INHIBITORS HAVING SPECIFICITY FOR THE GPII b?III a? RECEPTOR. GENENTECH INC (US) 1994-08-17 EP claimed
WO-1993008174-A1 NONPEPTIDYL INTEGRIN INHIBITORS HAVING SPECIFICITY FOR THE GPIIbIIIa RECEPTOR GENENTECH, INC. (US) 1993-04-29 WO claimed
US-5663166-A ANTICOAGULANTS OF 1,4-BENZODIAZEPINE-2,5-DIONE AND 2-BENZOAZEPINE-1,4-DIONE DERIVATIVES; PREVENTS FIBRINOGEN BINDING NECESSARY FOR PLATELET AGGREGATION; SIDE EFFECT REDUCTION, E.G. EXCESSIVE BLEEDING GENENTECH, INC. (US) 1997-09-02 US disclosed
US-5565449-A PLATELET AGGREGATION INHIBITORS GENENTECH, INC. (US) 1996-10-15 US disclosed
EP-0610334-B1 NONPEPTIDYL INTEGRIN INHIBITORS HAVING SPECIFICITY FOR THE GPII B III A RECEPTOR GENENTECH INC (US) 1996-01-24 EP disclosed