SCHEMBL7326953

SCHEMBL7326953

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

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 3/20 0.58
ITGA2B P08514 3/20 0.58
GABRA1 P14867 8/20 0.44
GABRA5 P31644 8/20 0.44
GABRG2 P18507 7/20 0.44
GABRB3 P28472 7/20 0.44
GABRA3 P34903 7/20 0.44
GABRA2 P47869 7/20 0.44
GABRB2 P47870 3/20 0.40
CASP3 P42574 1/20 0.40
GABRA6 Q16445 4/20 0.39
GABRA4 P48169 2/20 0.39
TNF P01375 3/20 0.36
HRH2 P25021 2/20 0.35
HRH1 P35367 2/20 0.35
HRH3 Q9Y5N1 1/20 0.35
RARA P10276 1/20 0.34
RARB P10826 1/20 0.34
RARG P13631 1/20 0.34
HDAC1 Q13547 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
SCHEMBL9317652 0.88 ITGB3 (0.45) ITGB3ITGA2BGABRA1GABRA5GABRG2
SCHEMBL7330685 0.87 ITGB3 (0.78) ITGB3ITGA2BGABRA1GABRA5GABRG2
SCHEMBL7319470 0.86 ITGB3 (0.44) ITGB3ITGA2BGABRA1GABRA5GABRG2
SCHEMBL7329425 0.86 ITGB3 (0.43) ITGB3ITGA2BGABRA1GABRA5GABRG2
SCHEMBL7330016 0.85 ITGB3 (0.44) ITGB3ITGA2BGABRA1GABRA5GABRG2
SCHEMBL7330759 0.85 ITGB3 (0.44) ITGB3ITGA2BGABRA1GABRA5GABRG2
SCHEMBL7328382 0.85 ITGB3 (0.47) ITGB3ITGA2BGABRA1GABRA5GABRG2
SCHEMBL7331720 0.83 ITGB3 (0.67) ITGB3ITGA2BGABRA1GABRA5GABRG2
SCHEMBL9317827 0.82 ITGB3 (0.42) ITGB3ITGA2BGABRA1GABRA5GABRG2
SCHEMBL7332526 0.81 ITGB3 (0.46) ITGB3ITGA2BGABRA1GABRA5GABRG2

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
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
US-5403836-A Anticoagulants GENENTECH, INC. (US) 1995-04-04 US disclosed
EP-0610334-A1 NONPEPTIDYL INTEGRIN INHIBITORS HAVING SPECIFICITY FOR THE GPII b?III a? RECEPTOR. GENENTECH INC (US) 1994-08-17 EP disclosed
US-5250679-A Nonpeptidyl platelet aggregation inhibitors having specificity for the GPIIb III.sub. receptor GENENTECH, INC. (US) 1993-10-05 US disclosed
WO-1993008174-A1 NONPEPTIDYL INTEGRIN INHIBITORS HAVING SPECIFICITY FOR THE GPIIbIIIa RECEPTOR GENENTECH, INC. (US) 1993-04-29 WO disclosed