SCHEMBL21783439

SCHEMBL21783439

COc1ccc(CN(Sc2ccc(NCc3c(F)cccc3CN3C4CCC3CC4)c(C)n2)c2cscn2)cc1

nearest known ligand 0.54

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SCN8A Q9UQD0 20/20 0.54
SCN1A P35498 15/20 0.54
SCN5A Q14524 13/20 0.54

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
SCHEMBL21783434 0.90 SCN1A (0.55) SCN8ASCN1ASCN5A
SCHEMBL21783465 0.87 SCN1A (0.56) SCN8ASCN1ASCN5A
SCHEMBL21783438 0.84 SCN8A (0.64) SCN8ASCN1ASCN5A
SCHEMBL31018042 0.84 SCN8A (0.64) SCN8ASCN1ASCN5A
SCHEMBL30662737 0.78 SCN8A (0.54) SCN8ASCN1ASCN5A
SCHEMBL21783460 0.76 ALDH1A1 (0.34)
SCHEMBL22331216 0.75 SCN8A (0.60) SCN8ASCN1ASCN5A
SCHEMBL21783432 0.74 SCN1A (0.65) SCN8ASCN1ASCN5A
SCHEMBL21783464 0.72 SCN1A (0.64) SCN8ASCN1ASCN5A
SCHEMBL21955478 0.70 SCN8A (1.00) SCN8ASCN1ASCN5A

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-2020047323-A1 HETEROARYL-SUBSTITUTED SULFONAMIDE COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2020-03-05 WO disclosed