SCHEMBL281087

SCHEMBL281087

O=C1N(Cc2ccc3c(c2)OCCCO3)c2ccccc2C12COc1cc3c(cc12)OCO3

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 16/20 0.62
SCN7A Q01118 1/20 0.61
SCN5A Q14524 1/20 0.61
SCN2A Q99250 1/20 0.61
SCN8A Q9UQD0 1/20 0.61
SCN10A Q9Y5Y9 1/20 0.61
ALDH1A1 P00352 3/20 0.52
TSHR P16473 2/20 0.50
USP2 O75604 1/20 0.50
MAPT P10636 1/20 0.50
ALOX15 P16050 1/20 0.50
HSD17B10 Q99714 1/20 0.50
LMNA P02545 1/20 0.49
GAA P10253 1/20 0.49
PKM P14618 1/20 0.48
KMT2A Q03164 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48

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
SCHEMBL281292 0.95 SCN9A (0.67) SCN9ASCN7ASCN5ASCN2ASCN8A
SCHEMBL2303423 0.93 SCN9A (0.67) SCN9ASCN7ASCN5ASCN2ASCN8A
SCHEMBL281281 0.87 SCN9A (0.69) SCN9ASCN7ASCN5ASCN2ASCN8A
SCHEMBL281255 0.86 SCN9A (0.64) SCN9ASCN7ASCN5ASCN2ASCN8A
SCHEMBL281289 0.86 SCN9A (0.66) SCN9ASCN7ASCN5ASCN2ASCN8A
SCHEMBL383099 0.86 SCN9A (0.64) SCN9ASCN7ASCN5ASCN2ASCN8A
SCHEMBL3331507 0.85 SCN9A (0.64) SCN9ASCN7ASCN5ASCN2ASCN8A
SCHEMBL3330088 0.85 SCN9A (0.61) SCN9ASCN7ASCN5ASCN2ASCN8A
SCHEMBL19562175 0.84 SCN9A (0.64) SCN9ASCN7ASCN5ASCN2ASCN8A
SCHEMBL281316 0.84 SCN9A (0.64) 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1888595-B1 SPIRO-OXINDOLE COMPOUNDS AND THEIR USES AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC (CA) 2012-02-01 EP claimed
EP-3241834-A1 SPIRO-OXINDOLE COMPOUNDS AND THEIR USES AS THERAPEUTIC AGENTS Xenon Pharmaceuticals Inc. (CA) 2017-11-08 EP disclosed
EP-2428515-B9 Spiro-oxindole compounds and their uses as therapeutic agents XENON PHARMACEUTICALS INC (CA) 2014-09-17 EP disclosed
EP-2752417-A1 Spiro-oxindole compounds and their uses as therapeutic agents Xenon Pharmaceuticals Inc. (CA) 2014-07-09 EP disclosed
EP-2428515-B1 Spiro-oxindole compounds and their uses as therapeutic agents XENON PHARMACEUTICALS INC (CA) 2014-05-07 EP disclosed
EP-2428515-A1 Spiro-oxindole compounds and their uses as therapeutic agents Xenon Pharmaceuticals Inc. (CA) 2012-03-14 EP disclosed
EP-2073806-B1 USE OF SPIRO-OXINDOLE COMPOUNDS AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC (CA) 2012-02-15 EP disclosed
EP-1888595-B1 SPIRO-OXINDOLE COMPOUNDS AND THEIR USES AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC (CA) 2012-02-01 EP disclosed