SCHEMBL7363490

SCHEMBL7363490

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

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 8/20 0.37
ITGA2B P08514 8/20 0.37
EDNRB P24530 1/20 0.35
EDNRA P25101 1/20 0.35
CHRM5 P08912 1/20 0.34
ALDH1A1 P00352 1/20 0.33
HDAC1 Q13547 5/20 0.33
HTR2A P28223 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
SCHEMBL7362403 0.88 CHRM5 (0.38) EDNRBEDNRACHRM5ALDH1A1HTR2A
SCHEMBL7361582 0.87 EDNRB (0.34) EDNRBEDNRAALDH1A1
SCHEMBL7363499 0.85 ITGB3 (0.40) ITGB3ITGA2BEDNRBEDNRACHRM5
SCHEMBL7353720 0.85 ITGB3 (0.40) ITGB3ITGA2BEDNRBEDNRACHRM5
SCHEMBL7355540 0.85 ITGB3 (0.39) ITGB3ITGA2B
SCHEMBL7363494 0.84 CHRM5 (0.38) ITGB3ITGA2BEDNRBEDNRACHRM5
SCHEMBL7361166 0.83 ITGB3 (0.49) ITGB3ITGA2B
SCHEMBL7358287 0.83 HDAC1 (0.36) ITGB3ITGA2BHDAC1HTR2A
SCHEMBL7356283 0.82 ITGB3 (0.43) ITGB3ITGA2BCHRM5HDAC1
SCHEMBL7356126 0.78 ITGB3 (0.39) 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 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