SCHEMBL7330548

SCHEMBL7330548

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

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 12/20 0.34
CTSK P43235 2/20 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
CXCR3 P49682 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
SCHEMBL8959459 0.93 SCN9A (0.35) SCN9ACTSK
SCHEMBL7333235 0.92 SCN9A (0.38) SCN9ACTSKF2F10ITGB3
SCHEMBL7322604 0.91 SCN9A (0.32) SCN9ACTSKF2F10ITGB3
SCHEMBL7335928 0.90 MDM2 (0.33) SCN9ACTSKF2F10ITGB3
SCHEMBL8842899 0.90 SCN9A (0.34) SCN9ACTSK
SCHEMBL7327457 0.88 TPSAB1 (0.35) SCN9ACXCR3
SCHEMBL8842990 0.85 SCN9A (0.35) SCN9ACTSK
SCHEMBL7332035 0.85 SCN9A (0.39) SCN9ACTSKF2F10ITGB3
SCHEMBL9494267 0.85 PDCD1 (0.36) SCN9A
SCHEMBL7327357 0.85 SCN9A (0.33) SCN9ACTSKCXCR3

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-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