SCHEMBL7334375

SCHEMBL7334375

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

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 4/20 0.35
ITGA2B P08514 4/20 0.35
RXRA P19793 3/20 0.34
GABRA1 P14867 3/20 0.32
GABRA5 P31644 3/20 0.32
GABRG2 P18507 2/20 0.32
GABRB3 P28472 2/20 0.32
GABRA3 P34903 2/20 0.32
GABRA2 P47869 2/20 0.32
GABRB2 P47870 1/20 0.32
GABRA6 Q16445 1/20 0.32
PPARG P37231 1/20 0.31
PPARA Q07869 1/20 0.31
S1PR1 P21453 1/20 0.31
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL7333147 0.91 ITGB3 (0.44) ITGB3ITGA2BGABRA1GABRA5GABRG2
SCHEMBL7324977 0.89 MEN1 (0.37) RXRAPPARGPPARAALDH1A1
SCHEMBL7327871 0.87 ITGB3 (0.35) ITGB3ITGA2BGABRA1GABRA5GABRG2
SCHEMBL7330135 0.86 MAPT (0.40) ITGB3ITGA2BPPARGPPARAALDH1A1
SCHEMBL7330796 0.85 GABRA1 (0.36) ITGB3ITGA2BRXRAGABRA1GABRA5
SCHEMBL7329534 0.85 ITGB3 (0.42) ITGB3ITGA2BGABRA1GABRA5GABRG2
SCHEMBL7329983 0.83 TPSAB1 (0.36) ITGB3ITGA2B
SCHEMBL7361895 0.82 ITGB3 (0.34) ITGB3ITGA2BRXRAGABRA1GABRA5
SCHEMBL7325524 0.80 ITGB3 (0.38) ITGB3ITGA2BGABRA1GABRA5GABRG2
SCHEMBL7324864 0.79 KDM4E (0.32) PPARGPPARAALDH1A1

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