SCHEMBL7361182

SCHEMBL7361182

CCC(C(=O)O)N1CC(=O)N(C(c2ccccc2)c2ccccc2)c2ccc(C=Cc3ccc(C(=N)N)cc3)cc2C1=O

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 12/20 0.44
ITGA2B P08514 12/20 0.44
PLG P00747 1/20 0.35
PLAU P00749 1/20 0.35
PLAT P00750 1/20 0.35
KLK1 P06870 1/20 0.35
F2 P00734 4/20 0.33
F10 P00742 2/20 0.33
ALOX15 P16050 2/20 0.32
NQO2 P16083 1/20 0.32
KDM4E B2RXH2 1/20 0.32

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
SCHEMBL7357207 0.90 ITGB3 (0.48) ITGB3ITGA2BPLGPLAUPLAT
SCHEMBL7356103 0.87 ITGB3 (0.57) ITGB3ITGA2BPLGPLAUPLAT
SCHEMBL7430434 0.85 ITGB3 (0.45) ITGB3ITGA2BF2F10
SCHEMBL7353455 0.84 ITGB3 (0.53) ITGB3ITGA2B
SCHEMBL7357511 0.83 ITGB3 (0.47) ITGB3ITGA2BPLGPLAUPLAT
SCHEMBL7359240 0.82 ITGB3 (0.56) ITGB3ITGA2BPLGPLAUPLAT
SCHEMBL7358573 0.80 ITGB3 (0.42) ITGB3ITGA2B
SCHEMBL7359512 0.78 ITGB3 (0.41) ITGB3ITGA2BF2F10
SCHEMBL7355380 0.76 ALDH1A1 (0.36) ITGB3ITGA2BALOX15KDM4E
SCHEMBL7357665 0.75 GAA (0.36) ITGB3ITGA2BF10

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
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
WO-1993008174-A1 NONPEPTIDYL INTEGRIN INHIBITORS HAVING SPECIFICITY FOR THE GPIIbIIIa RECEPTOR GENENTECH, INC. (US) 1993-04-29 WO disclosed