SCHEMBL7324337

SCHEMBL7324337

CCOC(=O)CCN1CC(=O)N(C)c2ccc([N+](=O)[O-])cc2C1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 1/20 0.46
CASP3 P42574 1/20 0.46
CASP4 P49662 1/20 0.46
CASP7 P55210 1/20 0.46
CASP9 P55211 1/20 0.46
CASP6 P55212 1/20 0.46
MAPT P10636 4/20 0.43
ITGB3 P05106 1/20 0.43
ITGA2B P08514 1/20 0.43
LMNA P02545 3/20 0.42
KDM4E B2RXH2 1/20 0.42
NR1H2 P55055 1/20 0.42
NR1H3 Q13133 1/20 0.42
GABRA1 P14867 3/20 0.41
GABRG2 P18507 3/20 0.41
GABRB3 P28472 3/20 0.41
GABRA5 P31644 3/20 0.41
GABRA3 P34903 3/20 0.41
GABRA2 P47869 2/20 0.40
CCKBR P32239 1/20 0.40

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
SCHEMBL7129671 0.91 CASP1 (0.47) CASP1CASP3CASP4CASP7CASP9
SCHEMBL7393832 0.90 ALDH1A1 (0.43) CASP1CASP3CASP4CASP7CASP9
SCHEMBL7335912 0.88 MAPT (0.41) CASP1CASP3CASP4CASP7CASP9
SCHEMBL7133634 0.87 MAPT (0.43) CASP1CASP3CASP4CASP7CASP9
SCHEMBL7539270 0.87 MAPT (0.41) CASP1CASP3CASP4CASP7CASP9
SCHEMBL7353647 0.86 MAPT (0.39) CASP1CASP3CASP4CASP7CASP9
SCHEMBL7362786 0.85 ALDH1A1 (0.41) CASP3MAPTLMNAKDM4EALDH1A1
SCHEMBL7332526 0.84 ITGB3 (0.46) CASP1CASP7ITGB3ITGA2BKDM4E
SCHEMBL7327411 0.83 TNF (0.54) CASP1CASP7MAPTITGB3ITGA2B
SCHEMBL3797765 0.83 MAPT (0.47) MAPTLMNAKDM4EALDH1A1NPC1

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