SCHEMBL7361895

SCHEMBL7361895

CCOC(=O)CC(C)N1CC(=O)N(C(C)C)c2ccc(CCc3cc(C#N)cs3)cc2C1=O

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 3/20 0.34
ITGA2B P08514 3/20 0.34
GABRA1 P14867 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA5 P31644 1/20 0.33
GABRA3 P34903 1/20 0.33
GABRA2 P47869 1/20 0.33
RXRA P19793 1/20 0.32
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
TSHR P16473 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL7355898 0.92 ITGB3 (0.43) ITGB3ITGA2BGABRA1GABRG2GABRB3
SCHEMBL7357194 0.90 MEN1 (0.34) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL7363260 0.88 ITGB3 (0.34) ITGB3ITGA2BGABRA1GABRG2GABRB3
SCHEMBL7357140 0.88 MAPT (0.37) ITGB3ITGA2BGABRA1GABRG2GABRB3
SCHEMBL7330796 0.87 GABRA1 (0.36) ITGB3ITGA2BGABRA1GABRG2GABRB3
SCHEMBL7334375 0.82 ITGB3 (0.35) ITGB3ITGA2BGABRA1GABRG2GABRB3
SCHEMBL7355407 0.81 MDM2 (0.33)
SCHEMBL7354786 0.81 ITGB3 (0.36) ITGB3ITGA2BGABRA1GABRG2GABRB3
SCHEMBL7322812 0.80 ITGB3 (0.44) ITGB3ITGA2BGABRA1GABRG2GABRB3
SCHEMBL8842910 0.80 MEN1 (0.34) GABRA1GABRG2GABRB3GABRA5GABRA3

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-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
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