SCHEMBL4597530

SCHEMBL4597530

CCCCCN1C(=O)C(Br)(c2cc3c(cc2O)OCO3)c2ccccc21

nearest known ligand 0.63

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 19/20 0.63

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
SCHEMBL281829 0.87 SCN9A (0.76) SCN9A
SCHEMBL281474 0.86 SCN9A (0.76) SCN9A
SCHEMBL281825 0.85 SCN9A (0.77) SCN9A
SCHEMBL4597188 0.83 SCN9A (0.71) SCN9A
SCHEMBL281265 0.82 SCN9A (0.58) SCN9A
SCHEMBL282062 0.82 SCN9A (0.64) SCN9A
SCHEMBL281486 0.79 SCN9A (0.60) SCN9A
SCHEMBL14506555 0.79 SCN9A (0.60) SCN9A
SCHEMBL14533501 0.79 SCN9A (0.64) SCN9A
SCHEMBL27707826 0.78 SCN9A (0.61) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1877378-A2 OXINDOLE COMPOUNDS AND THEIR USES AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2008-01-16 EP disclosed
WO-2006113864-A2 OXINDOLE COMPOUNDS AND THEIR USES AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2006-10-26 WO disclosed