SCHEMBL7361111

SCHEMBL7361111

O=C(O)CCN1CC(=O)N(Cc2ccc(F)cc2F)c2ccc(OCCC3CCNCC3)cc2C1=O

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 15/20 0.46
ITGA2B P08514 15/20 0.46
ITGA2 P17301 3/20 0.40
ADAM17 P78536 1/20 0.35
MAPK14 Q16539 2/20 0.34
CHRM5 P08912 1/20 0.34

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
SCHEMBL8959811 0.92 ITGB3 (0.45) ITGB3ITGA2BITGA2ADAM17MAPK14
SCHEMBL8959821 0.90 ITGB3 (0.46) ITGB3ITGA2BITGA2ADAM17
SCHEMBL7353725 0.88 ITGB3 (0.43) ITGB3ITGA2BADAM17MAPK14CHRM5
SCHEMBL7353724 0.86 ITGB3 (0.41) ITGB3ITGA2BADAM17MAPK14CHRM5
SCHEMBL7358023 0.85 ITGB3 (0.49) ITGB3ITGA2BITGA2CHRM5
SCHEMBL7356283 0.84 ITGB3 (0.43) ITGB3ITGA2BCHRM5
SCHEMBL7363184 0.84 ITGB3 (0.39) ITGB3ITGA2BMAPK14
SCHEMBL7353720 0.84 ITGB3 (0.40) ITGB3ITGA2BMAPK14CHRM5
SCHEMBL7361348 0.83 ITGB3 (0.50) ITGB3ITGA2BITGA2
SCHEMBL7363759 0.82 ITGB3 (0.54) ITGB3ITGA2BITGA2

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 9 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
EP-0610334-A1 NONPEPTIDYL INTEGRIN INHIBITORS HAVING SPECIFICITY FOR THE GPII b?III a? RECEPTOR. GENENTECH INC (US) 1994-08-17 EP disclosed
WO-1993008174-A1 NONPEPTIDYL INTEGRIN INHIBITORS HAVING SPECIFICITY FOR THE GPIIbIIIa RECEPTOR GENENTECH, INC. (US) 1993-04-29 WO disclosed