SCHEMBL4733652

SCHEMBL4733652

S=C1N(Cc2ccc(Cl)o2)c2ccccc2C12COc1cc3c(cc12)OCO3

nearest known ligand 0.59

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 20/20 0.59
SCN7A Q01118 1/20 0.59
SCN5A Q14524 1/20 0.59
SCN2A Q99250 1/20 0.59
SCN8A Q9UQD0 1/20 0.59
SCN10A Q9Y5Y9 1/20 0.59

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
SCHEMBL281663 0.89 SCN9A (0.75) SCN9ASCN7ASCN5ASCN2ASCN8A
SCHEMBL4730724 0.85 SCN9A (0.81) SCN9ASCN7ASCN5ASCN2ASCN8A
SCHEMBL4729017 0.83 SCN9A (0.54) SCN9ASCN7ASCN5ASCN2ASCN8A
SCHEMBL14221300 0.80 SCN9A (0.52) SCN9ASCN7ASCN5ASCN2ASCN8A
SCHEMBL4729265 0.79 SCN9A (0.52) SCN9ASCN7ASCN5ASCN2ASCN8A
SCHEMBL18212642 0.77 SCN9A (0.78) SCN9ASCN7ASCN5ASCN2ASCN8A
SCHEMBL281517 0.77 SCN9A (0.75) SCN9ASCN7ASCN5ASCN2ASCN8A
SCHEMBL281220 0.77 SCN9A (0.75) SCN9ASCN7ASCN5ASCN2ASCN8A
SCHEMBL12712131 0.77 SCN9A (0.75) SCN9ASCN7ASCN5ASCN2ASCN8A
SCHEMBL12712134 0.77 SCN9A (0.75) SCN9ASCN7ASCN5ASCN2ASCN8A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008046087-A2 SPIRO COMPOUNDS AND THEIR USES AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2008-04-17 WO claimed
WO-2008046087-A2 SPIRO COMPOUNDS AND THEIR USES AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2008-04-17 WO disclosed