SCHEMBL16360651

SCHEMBL16360651

Cc1cc2c(cc1O)OCC21C(=O)N(C[C@H]2CCCO2)c2ccccc21

nearest known ligand 0.70

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 19/20 0.70
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42

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
SCHEMBL3327785 0.90 SCN9A (0.75) SCN9A
SCHEMBL12315006 0.88 SCN9A (0.65) SCN9ACYP1A2CYP2C9CYP2C19
SCHEMBL2304226 0.88 SCN9A (0.65) SCN9ACYP1A2CYP2C9CYP2C19
SCHEMBL2304153 0.87 SCN9A (0.76) SCN9A
SCHEMBL385222 0.87 SCN9A (0.75) SCN9ACYP1A2CYP2C9CYP2C19
SCHEMBL2304156 0.87 SCN9A (0.72) SCN9ACYP1A2CYP2C9CYP2C19
SCHEMBL3329258 0.87 SCN9A (0.72) SCN9ACYP1A2CYP2C9CYP2C19
SCHEMBL282057 0.86 SCN9A (0.71) SCN9ACYP1A2CYP2C9CYP2C19
SCHEMBL3334965 0.86 SCN9A (0.71) SCN9ACYP1A2CYP2C9CYP2C19
SCHEMBL18774612 0.86 SCN9A (0.71) SCN9ACYP1A2CYP2C9CYP2C19

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-2350090-B1 SPIRO-OXINDOLE COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC (CA) 2015-06-03 EP disclosed
WO-2010045251-A2 SPIRO-OXINDOLE COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS, INC. (CA) 2010-04-22 WO disclosed