SCHEMBL7330759

SCHEMBL7330759

CCOC(=O)CCN1CC(=O)N(c2ccc(OC)cc2)c2ccc(C#Cc3ccc(C#N)cc3)cc2C1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.44
ITGA2B P08514 1/20 0.44
GABRA1 P14867 4/20 0.40
GABRG2 P18507 4/20 0.40
GABRB3 P28472 4/20 0.40
GABRA5 P31644 4/20 0.40
GABRA3 P34903 4/20 0.40
GABRA2 P47869 4/20 0.40
GABRB2 P47870 3/20 0.36
ALDH1A1 P00352 2/20 0.35
MAPT P10636 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
HTT P42858 1/20 0.35
GABRA4 P48169 2/20 0.35
GABRA6 Q16445 2/20 0.35
HRH2 P25021 2/20 0.35
HRH1 P35367 2/20 0.35
HRH3 Q9Y5N1 1/20 0.35
TNF P01375 1/20 0.34
KCNA5 P22460 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
SCHEMBL7319470 0.91 ITGB3 (0.44) ITGB3ITGA2BGABRA1GABRG2GABRB3
SCHEMBL7326953 0.85 ITGB3 (0.58) ITGB3ITGA2BGABRA1GABRG2GABRB3
SCHEMBL7329007 0.84 ALDH1A1 (0.37) ALDH1A1MAPTSMN1; SMN2HTTTNF
SCHEMBL7330736 0.80 CNR1 (0.36) ITGB3ITGA2BGABRA1GABRG2GABRB3
SCHEMBL7330124 0.80 CNR1 (0.37) ITGB3ITGA2BGABRA1GABRG2GABRB3
SCHEMBL7330701 0.80 ITGB3 (0.64) ITGB3ITGA2BALDH1A1
SCHEMBL7330016 0.79 ITGB3 (0.44) ITGB3ITGA2BGABRA1GABRG2GABRB3
SCHEMBL7329425 0.76 ITGB3 (0.43) ITGB3ITGA2BGABRA1GABRG2GABRB3
SCHEMBL7328381 0.75 MAOB (0.41) ITGB3ITGA2BGABRA1GABRG2GABRB3
SCHEMBL9317652 0.74 ITGB3 (0.45) ITGB3ITGA2BGABRA1GABRG2GABRB3

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
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