SCHEMBL28045870

SCHEMBL28045870

COc1ccc(CN2C(=O)C(O)(c3ccc(C#N)c(C)c3)c3ccccc32)cc1

nearest known ligand 0.67

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 16/20 0.67
CHRM5 P08912 1/20 0.50
OPRL1 P41146 1/20 0.44

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
SCHEMBL27841578 0.84 SCN9A (0.63) SCN9ACHRM5
SCHEMBL4597269 0.83 SCN9A (0.77) SCN9ACHRM5OPRL1
SCHEMBL20988966 0.83 SCN9A (0.83) SCN9ACHRM5
SCHEMBL2357070 0.82 SCN9A (0.60) SCN9ACHRM5OPRL1
SCHEMBL4597672 0.81 SCN9A (1.00) SCN9ACHRM5OPRL1
SCHEMBL2308969 0.80 SCN9A (0.57) SCN9ACHRM5OPRL1
SCHEMBL4597136 0.79 SCN9A (0.89) SCN9A
SCHEMBL4598042 0.78 SCN9A (0.70) SCN9ACHRM5
SCHEMBL4727817 0.77 SCN9A (0.76) SCN9ACHRM5
SCHEMBL30951950 0.77 SCN9A (0.76) SCN9ACHRM5OPRL1

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
CN-105218565-A Spiral shell oxindole compounds and the purposes as therapeutical agent thereof XENON PHARMACEUTICALS INC 2016-01-06 CN disclosed
CN-105175433-A Spiro-oxindole compounds and their use as therapeutic agents XENON PHARMACEUTICALS INC 2015-12-23 CN disclosed