SCHEMBL7322604

SCHEMBL7322604

CCOC(=O)CC(c1ccccc1)N1C(=O)c2cc(CCCC(S)NC(=O)OC(C)(C)C)ccc2N(c2ccccc2)C(=O)C1c1ccccc1

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.32
F2 P00734 1/20 0.30
F10 P00742 1/20 0.30
ITGB3 P05106 1/20 0.30
ITGA2B P08514 1/20 0.30
CTSK P43235 2/20 0.30
PDCD1 Q15116 1/20 0.30
CD274 Q9NZQ7 1/20 0.30
CXCR3 P49682 1/20 0.30
GAA P10253 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
SCHEMBL7328434 0.92 SCN9A (0.32) SCN9ACTSKPDCD1CD274GAA
SCHEMBL7333235 0.92 SCN9A (0.38) SCN9AF2F10ITGB3ITGA2B
SCHEMBL7330548 0.91 SCN9A (0.34) SCN9AF2F10ITGB3ITGA2B
SCHEMBL7335928 0.90 MDM2 (0.33) SCN9AF2F10ITGB3ITGA2B
SCHEMBL7324643 0.88 PDCD1 (0.36) PDCD1CD274CXCR3
SCHEMBL9493769 0.85 PDCD1 (0.37) PDCD1CD274GAA
SCHEMBL7330816 0.85 MEN1 (0.33) SCN9ACTSKPDCD1CD274CXCR3
SCHEMBL7332035 0.84 SCN9A (0.39) SCN9AF2F10ITGB3ITGA2B
SCHEMBL8959459 0.83 SCN9A (0.35) SCN9ACTSK
SCHEMBL7329444 0.83

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