SCHEMBL7330685

SCHEMBL7330685

CCOC(=O)CCN1CC(=O)N(C)c2ccc(C#Cc3ccc(C(=N)N)cc3)cc2C1=O

nearest known ligand 0.78

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 12/20 0.78
ITGA2B P08514 12/20 0.78
F2 P00734 6/20 0.39
F10 P00742 5/20 0.39
GABRA1 P14867 2/20 0.38
GABRG2 P18507 2/20 0.38
GABRB3 P28472 2/20 0.38
GABRA5 P31644 2/20 0.38
GABRA3 P34903 2/20 0.38
GABRA2 P47869 2/20 0.38
GABRB2 P47870 2/20 0.38
GABRA4 P48169 1/20 0.37
GABRA6 Q16445 1/20 0.37
TNF P01375 2/20 0.36

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
SCHEMBL7331720 0.92 ITGB3 (0.67) ITGB3ITGA2BF2F10GABRA1
SCHEMBL7330729 0.91 ITGB3 (0.65) ITGB3ITGA2BF2F10GABRA1
Ethyl Acetate SCHEMBL7330809 0.90 ITGB3 (0.85) ITGB3ITGA2BF2F10GABRA1
SCHEMBL7322854 0.90 ITGB3 (0.63) ITGB3ITGA2BF2F10GABRA1
SCHEMBL7331027 0.88 ITGB3 (0.61) ITGB3ITGA2BF2F10GABRA1
SCHEMBL7330701 0.88 ITGB3 (0.64) ITGB3ITGA2BF2F10
SCHEMBL8837187 0.88 ITGB3 (1.00) ITGB3ITGA2B
SCHEMBL7326953 0.87 ITGB3 (0.58) ITGB3ITGA2BGABRA1GABRG2GABRB3
SCHEMBL7320884 0.86 ITGB3 (0.73) ITGB3ITGA2BGABRA1GABRG2GABRB3
SCHEMBL7363482 0.86 ITGB3 (0.59) ITGB3ITGA2BF2F10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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