SCHEMBL7328434

SCHEMBL7328434

CCOC(=O)CC(C)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 7)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.32
PDCD1 Q15116 1/20 0.31
CD274 Q9NZQ7 1/20 0.31
GAA P10253 1/20 0.31
TSHR P16473 1/20 0.30
CTSK P43235 2/20 0.30
CTSS P25774 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
SCHEMBL7322604 0.92 SCN9A (0.32) SCN9APDCD1CD274GAACTSK
SCHEMBL7332035 0.92 SCN9A (0.39) SCN9ATSHRCTSKCTSS
SCHEMBL8959459 0.91 SCN9A (0.35) SCN9ATSHRCTSKCTSS
SCHEMBL7331044 0.90 SCN9A (0.33) SCN9ATSHRCTSKCTSS
SCHEMBL7328669 0.88 PDCD1 (0.37) PDCD1CD274
SCHEMBL9492960 0.85 PDCD1 (0.38) PDCD1CD274GAA
SCHEMBL7325148 0.84 ITGB3 (0.32) SCN9APDCD1CD274GAATSHR
SCHEMBL7330548 0.84 SCN9A (0.34) SCN9ACTSK
SCHEMBL7333235 0.84 SCN9A (0.38) SCN9ACTSK
SCHEMBL7332332 0.82 PPIA (0.32)

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