SCHEMBL7361234

SCHEMBL7361234

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

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAOB P27338 7/20 0.39
MAOA P21397 3/20 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
RAB9A P51151 1/20 0.38
SMPD1 P17405 1/20 0.36
S1PR1 P21453 2/20 0.36
MAPT P10636 1/20 0.35
GABRA6 Q16445 1/20 0.34
LMNA P02545 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ITGB3 P05106 1/20 0.34
ITGA2B P08514 1/20 0.34
SCN7A Q01118 1/20 0.34
KCNH2 Q12809 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
SCHEMBL7328381 0.93 MAOB (0.41) MAOBMAOAGABRA1GABRG2GABRB3
SCHEMBL7359703 0.92 FFAR1 (0.41) MAOBMAOAGABRA1GABRG2GABRB3
SCHEMBL7327119 0.89 MAOB (0.40) MAOBMAOAGABRA1GABRG2GABRB3
SCHEMBL7329425 0.89 ITGB3 (0.43) MAOBMAOAGABRA1GABRG2GABRB3
SCHEMBL7323731 0.88 MAOB (0.38) MAOBMAOAGABRA1GABRG2GABRB3
SCHEMBL8837035 0.87 ITGB3 (0.48) ITGB3ITGA2B
SCHEMBL7357541 0.85 BRD4 (0.41) MAOBMAOAGABRA1GABRG2GABRB3
SCHEMBL7334604 0.85 PDCD1 (0.43) MAOBMAOAGABRA1GABRG2GABRB3
SCHEMBL7324527 0.85 MAOB (0.41) MAOBMAOAGABRA1GABRG2GABRB3
SCHEMBL8837043 0.82 F2 (0.40) ITGB3ITGA2B

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-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