SCHEMBL7334604

SCHEMBL7334604

CCOC(=O)CCN1CC(=O)N(CC)c2ccc(OCc3cccc(C#N)c3)cc2C1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDCD1 Q15116 3/20 0.43
CD274 Q9NZQ7 3/20 0.43
FFAR1 O14842 2/20 0.42
FFAR4 Q5NUL3 1/20 0.42
GRM5 P41594 2/20 0.42
MAOB P27338 4/20 0.41
MAOA P21397 2/20 0.41
GABRA1 P14867 1/20 0.39
GABRG2 P18507 1/20 0.39
GABRB3 P28472 1/20 0.39
GABRA5 P31644 1/20 0.39
GABRA3 P34903 1/20 0.39
GABRA2 P47869 1/20 0.39
HTR6 P50406 1/20 0.37
MET P08581 2/20 0.37
CYP19A1 P11511 1/20 0.37
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
KCNH2 Q12809 1/20 0.37
HRH2 P25021 1/20 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
SCHEMBL7359703 0.92 FFAR1 (0.41) PDCD1CD274FFAR1FFAR4GRM5
SCHEMBL7328381 0.92 MAOB (0.41) MAOBMAOAGABRA1GABRG2GABRB3
SCHEMBL7319964 0.89 FFAR1 (0.42) PDCD1CD274FFAR1FFAR4GRM5
SCHEMBL7359392 0.86 MAOB (0.42) PDCD1CD274FFAR1FFAR4GRM5
SCHEMBL7361234 0.85 MAOB (0.39) MAOBMAOAGABRA1GABRG2GABRB3
SCHEMBL7326783 0.85 F2 (0.43)
SCHEMBL7323731 0.84 MAOB (0.38) MAOBMAOAGABRA1GABRG2GABRB3
SCHEMBL7329425 0.84 ITGB3 (0.43) MAOBMAOAGABRA1GABRG2GABRB3
SCHEMBL7325785 0.82 BRD4 (0.43) FFAR1MAOBMAOAGABRA1GABRG2
SCHEMBL7327119 0.82 MAOB (0.40) MAOBMAOAGABRA1GABRG2GABRB3

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