SCHEMBL7328381

SCHEMBL7328381

CCOC(=O)CCN1CC(=O)N(CC)c2ccc(OCc3ccc(C#N)cc3)cc2C1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 8/20 0.41
MAOA P21397 4/20 0.41
RAB9A P51151 1/20 0.41
GABRA1 P14867 2/20 0.41
GABRG2 P18507 2/20 0.41
GABRB3 P28472 2/20 0.41
GABRA5 P31644 2/20 0.41
GABRA3 P34903 2/20 0.41
GABRA2 P47869 2/20 0.41
MAPT P10636 1/20 0.37
GABRA6 Q16445 1/20 0.37
SMPD1 P17405 1/20 0.37
ITGB3 P05106 2/20 0.36
ITGA2B P08514 2/20 0.36
SCN7A Q01118 1/20 0.36
KCNH2 Q12809 1/20 0.36
BRD4 O60885 1/20 0.36
HRH2 P25021 1/20 0.35
HRH1 P35367 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35

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
SCHEMBL7361234 0.93 MAOB (0.39) MAOBMAOARAB9AGABRA1GABRG2
SCHEMBL7329425 0.92 ITGB3 (0.43) MAOBMAOARAB9AGABRA1GABRG2
SCHEMBL7323731 0.92 MAOB (0.38) MAOBMAOARAB9AGABRA1GABRG2
SCHEMBL7334604 0.92 PDCD1 (0.43) MAOBMAOAGABRA1GABRG2GABRB3
SCHEMBL7327119 0.89 MAOB (0.40) MAOBMAOARAB9AGABRA1GABRG2
SCHEMBL7333070 0.87 ITGB3 (0.51) ITGB3ITGA2B
SCHEMBL7324527 0.86 MAOB (0.41) MAOBMAOARAB9AGABRA1GABRG2
SCHEMBL7325785 0.84 BRD4 (0.43) MAOBMAOAGABRA1GABRG2GABRB3
SCHEMBL7359703 0.84 FFAR1 (0.41) MAOBMAOAGABRA1GABRG2GABRB3
SCHEMBL7397188 0.83 MAOB (0.48) MAOBMAOARAB9ASMPD1SCN7A

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