SCHEMBL7330995

SCHEMBL7330995

CCOC(=O)CC(C)N1CC(=O)N(C)c2ccc(CCCC(S)NC(=O)OC(C)(C)C)cc2C1=O

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 4/20 0.38
ITGA2B P08514 4/20 0.38
GABRA1 P14867 4/20 0.34
GABRA5 P31644 4/20 0.34
GABRG2 P18507 3/20 0.34
GABRB3 P28472 3/20 0.34
GABRA3 P34903 3/20 0.34
GABRA2 P47869 3/20 0.34
GABRA6 Q16445 3/20 0.34
GABRB2 P47870 2/20 0.34
SCN9A Q15858 1/20 0.32
CA2 P00918 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
SCHEMBL7327778 0.92 GABRA1 (0.33) ITGB3ITGA2BGABRA1GABRA5GABRG2
SCHEMBL7325148 0.89 ITGB3 (0.32) ITGB3ITGA2BGABRA1GABRA5GABRG2
SCHEMBL7331888 0.89 SCN9A (0.35) ITGB3ITGA2BGABRA1GABRA5GABRG2
SCHEMBL7330420 0.89 HDAC1 (0.34) ITGB3ITGA2BSCN9A
SCHEMBL7321741 0.86 ITGB3 (0.39) ITGB3ITGA2BGABRA1GABRA5GABRG2
SCHEMBL7327357 0.82 SCN9A (0.33) SCN9A
SCHEMBL7332035 0.81 SCN9A (0.39) ITGB3ITGA2BSCN9A
SCHEMBL7330816 0.81 MEN1 (0.33) GABRA1GABRA5GABRG2GABRB3GABRA3
SCHEMBL7332919 0.80 HDAC1 (0.34) ITGB3ITGA2BSCN9A
SCHEMBL7324165 0.80 ITGB3 (0.35) 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