SCHEMBL7363456

SCHEMBL7363456

N=C(N)c1ccc(C=Cc2ccc3c(c2)C(=O)N(CCC(=O)O)CC(=O)N3Cc2ccc(F)cc2F)cc1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 14/20 0.52
ITGA2B P08514 14/20 0.52
F2 P00734 1/20 0.39
KDM4E B2RXH2 1/20 0.32
ALOX15 P16050 1/20 0.32
TSHR P16473 1/20 0.32
SIRT1 Q96EB6 1/20 0.32
KLKB1 P03952 1/20 0.32
AKR1B1 P15121 1/20 0.32
TRPA1 O75762 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
SCHEMBL8837101 0.87 ITGB3 (0.68) ITGB3ITGA2BF2KDM4EALOX15
SCHEMBL7421820 0.86 ITGB3 (0.59) ITGB3ITGA2BF2KDM4EKLKB1
SCHEMBL7354920 0.85 ITGB3 (0.55) ITGB3ITGA2BF2
SCHEMBL7363458 0.84 ITGB3 (0.47) ITGB3ITGA2BF2KDM4EALOX15
SCHEMBL7363195 0.84 ITGB3 (0.55) ITGB3ITGA2B
SCHEMBL7359512 0.83 ITGB3 (0.41) ITGB3ITGA2BF2TRPA1
SCHEMBL7359445 0.82 ITGB3 (0.58) ITGB3ITGA2BF2KDM4EALOX15
SCHEMBL7359659 0.82 ITGB3 (0.74) ITGB3ITGA2BKDM4EALOX15TSHR
SCHEMBL7363705 0.82 ITGB3 (0.59) ITGB3ITGA2BF2KDM4EALOX15
SCHEMBL7359393 0.78 ITGB3 (0.61) ITGB3ITGA2BKDM4EALOX15TSHR

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 8 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-5674863-A BENZODIAZEPINEDIONE DERIVATIVE; FIBRINOGIN BINDING INHIBITOR GENENTECH, INC. (US) 1997-10-07 US disclosed
US-5674865-A BENZODIAZEPINEDIONE DERIVATIVE; FIBRINOGIN BINDING INHIBITOR GENENTECH, INC. (US) 1997-10-07 US disclosed
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