SCHEMBL7327778

SCHEMBL7327778

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

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.33
GABRG2 P18507 2/20 0.33
GABRB3 P28472 2/20 0.33
GABRA5 P31644 2/20 0.33
GABRA3 P34903 2/20 0.33
GABRA2 P47869 2/20 0.33
GABRB2 P47870 2/20 0.33
GABRA6 Q16445 2/20 0.33
ITGB3 P05106 3/20 0.32
ITGA2B P08514 3/20 0.32
RXRA P19793 1/20 0.30
SCN9A Q15858 3/20 0.30
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
SCHEMBL7330995 0.92 ITGB3 (0.38) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL7327357 0.90 SCN9A (0.33) SCN9A
SCHEMBL7325148 0.89 ITGB3 (0.32) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL7330420 0.88 HDAC1 (0.34) ITGB3ITGA2BSCN9A
SCHEMBL7329983 0.87 TPSAB1 (0.36) ITGB3ITGA2B
SCHEMBL8959459 0.82 SCN9A (0.35) SCN9A
SCHEMBL7331888 0.81 SCN9A (0.35) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL7330768 0.81 GABRA1 (0.31) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL7326385 0.81 MEN1 (0.32) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL7330816 0.80 MEN1 (0.33) 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
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