SCHEMBL8842899

SCHEMBL8842899

CCOOCC(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 2)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 14/20 0.34
CTSK P43235 2/20 0.32

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
SCHEMBL8842990 0.93 SCN9A (0.35) SCN9ACTSK
SCHEMBL7330548 0.90 SCN9A (0.34) SCN9ACTSK
SCHEMBL8959459 0.85 SCN9A (0.35) SCN9ACTSK
SCHEMBL8843209 0.83 PPIA (0.32)
SCHEMBL7333235 0.82 SCN9A (0.38) SCN9ACTSK
SCHEMBL8843400 0.82
SCHEMBL7322604 0.81 SCN9A (0.32) SCN9ACTSK
SCHEMBL7335928 0.81 MDM2 (0.33) SCN9ACTSK
SCHEMBL7327457 0.78 TPSAB1 (0.35) SCN9A
SCHEMBL7332035 0.78 SCN9A (0.39) SCN9ACTSK

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 1 patent. 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