SCHEMBL7359392

SCHEMBL7359392

CCOC(=O)CCN1CC(=O)N(C2CCCCC2)c2ccc(OCc3cccc(C#N)c3)cc2C1=O

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.42
MAOA P21397 1/20 0.42
GRM5 P41594 2/20 0.41
PDCD1 Q15116 4/20 0.40
CD274 Q9NZQ7 4/20 0.40
FFAR1 O14842 2/20 0.39
FFAR4 Q5NUL3 1/20 0.39
KCNH2 Q12809 1/20 0.38
ADAM17 P78536 1/20 0.37
CYP19A1 P11511 1/20 0.36
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
GABRA1 P14867 1/20 0.36
GABRG2 P18507 1/20 0.36
GABRB3 P28472 1/20 0.36
GABRA5 P31644 1/20 0.36
GABRA3 P34903 1/20 0.36
GABRA2 P47869 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
SCHEMBL7324527 0.92 MAOB (0.41) MAOBMAOAKCNH2GABRA1GABRG2
SCHEMBL7334604 0.86 PDCD1 (0.43) MAOBMAOAGRM5PDCD1CD274
SCHEMBL7364232 0.86 F2 (0.39)
SCHEMBL7359703 0.85 FFAR1 (0.41) MAOBMAOAGRM5PDCD1CD274
SCHEMBL7319964 0.85 FFAR1 (0.42) MAOBMAOAGRM5PDCD1CD274
SCHEMBL7327319 0.83 BRD4 (0.41) FFAR1GABRA1GABRG2GABRB3GABRA5
SCHEMBL7331755 0.82 ITGB3 (0.47)
SCHEMBL7332949 0.80 ALDH1A1 (0.44)
SCHEMBL7329425 0.79 ITGB3 (0.43) MAOBMAOAKCNH2GABRA1GABRG2
SCHEMBL7328381 0.78 MAOB (0.41) MAOBMAOAKCNH2GABRA1GABRG2

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