SCHEMBL10248744

SCHEMBL10248744

O=C(c1cc(CCO)cc(-c2ccc(Oc3ccc(F)cc3)cc2)n1)N1CCNCC1

nearest known ligand 0.71

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 20/20 0.71

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
SCHEMBL17049450 0.83 SCN9A (0.69) SCN9A
SCHEMBL29421475 0.83 SCN9A (1.00) SCN9A
SCHEMBL787231 0.83 SCN9A (1.00) SCN9A
SCHEMBL364777 0.80 SCN9A (0.70) SCN9A
SCHEMBL21236837 0.80 SCN9A (0.72) SCN9A
SCHEMBL29421479 0.77 SCN9A (1.00) SCN9A
SCHEMBL787573 0.77 SCN9A (1.00) SCN9A
SCHEMBL21237081 0.76 SCN9A (0.88) SCN9A
SCHEMBL21236980 0.74 SCN9A (0.70) SCN9A
SCHEMBL21236860 0.74 SCN9A (0.70) SCN9A

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
WO-2012007836-A1 PYRIDINE COMPOUNDS AS SODIUM CHANNEL BLOCKERS PURDUE PHARMA .LP. (US) 2012-01-19 WO disclosed