SCHEMBL7329534

SCHEMBL7329534

CCOC(=O)CC(C)N1CC(=O)N(C(C)C)c2ccc(C#CCCCC#N)cc2C1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 7/20 0.42
ITGA2B P08514 7/20 0.42
GABRA1 P14867 7/20 0.35
GABRA5 P31644 7/20 0.35
GABRG2 P18507 6/20 0.35
GABRB3 P28472 6/20 0.35
GABRA3 P34903 6/20 0.35
GABRA2 P47869 6/20 0.35
GABRB2 P47870 3/20 0.35
GABRA6 Q16445 4/20 0.34
GABRA4 P48169 2/20 0.34
PRKCA P17252 2/20 0.32
HDAC1 Q13547 2/20 0.32
HDAC6 Q9UBN7 2/20 0.32
PRKCG P05129 1/20 0.32
PRKCB P05771 1/20 0.32
PRKCE Q02156 1/20 0.32
PRKCD Q05655 1/20 0.32
RARA P10276 1/20 0.32
RARB P10826 1/20 0.32

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
SCHEMBL7321185 0.91 ITGB3 (0.52) ITGB3ITGA2BGABRA1GABRA5GABRG2
SCHEMBL7333110 0.90 ITGB3 (0.37) ITGB3ITGA2BGABRA1GABRA5GABRG2
SCHEMBL7359849 0.87 ITGB3 (0.41) ITGB3ITGA2BGABRA1GABRA5GABRG2
SCHEMBL7331716 0.86 ITGB3 (0.41) ITGB3ITGA2BGABRA1GABRA5GABRG2
SCHEMBL7322812 0.85 ITGB3 (0.44) ITGB3ITGA2BGABRA1GABRA5GABRG2
SCHEMBL7319105 0.85 ITGB3 (0.39) ITGB3ITGA2BGABRA1GABRA5GABRG2
SCHEMBL7334375 0.85 ITGB3 (0.35) ITGB3ITGA2BGABRA1GABRA5GABRG2
SCHEMBL7324497 0.82 ITGB3 (0.46) ITGB3ITGA2BGABRA1GABRA5GABRG2
SCHEMBL7325524 0.80 ITGB3 (0.38) ITGB3ITGA2BGABRA1GABRA5GABRG2
SCHEMBL7325762 0.80 ITGB3 (0.44) ITGB3ITGA2BGABRA1GABRA5GABRG2

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-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
US-5403836-A Anticoagulants GENENTECH, INC. (US) 1995-04-04 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
US-5250679-A Nonpeptidyl platelet aggregation inhibitors having specificity for the GPIIb III.sub. receptor GENENTECH, INC. (US) 1993-10-05 US disclosed
WO-1993008174-A1 NONPEPTIDYL INTEGRIN INHIBITORS HAVING SPECIFICITY FOR THE GPIIbIIIa RECEPTOR GENENTECH, INC. (US) 1993-04-29 WO disclosed