SCHEMBL484051

SCHEMBL484051

Cc1cccc(C(=O)O)c1CN1C(=O)C2(COc3cc4c(cc32)OCO4)c2ccccc21

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 18/20 0.58
SCN7A Q01118 1/20 0.56
SCN5A Q14524 1/20 0.56
SCN2A Q99250 1/20 0.56
SCN8A Q9UQD0 1/20 0.56
SCN10A Q9Y5Y9 1/20 0.56
ALDH1A1 P00352 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 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
SCHEMBL484089 0.88 SCN9A (0.59) SCN9ASCN7ASCN5ASCN2ASCN8A
SCHEMBL280889 0.87 SCN9A (0.62) SCN9ASCN7ASCN5ASCN2ASCN8A
SCHEMBL484029 0.86 SCN9A (0.58) SCN9ASCN7ASCN5ASCN2ASCN8A
SCHEMBL16752601 0.84 SCN9A (0.54) SCN9ASCN7ASCN5ASCN2ASCN8A
SCHEMBL281023 0.83 SCN9A (0.55) SCN9ASCN7ASCN5ASCN2ASCN8A
SCHEMBL280763 0.81 SCN9A (0.54) SCN9ASCN7ASCN5ASCN2ASCN8A
SCHEMBL281137 0.81 SCN9A (0.66) SCN9ASCN7ASCN5ASCN2ASCN8A
SCHEMBL13962963 0.81 SCN9A (0.58) SCN9ASCN7ASCN5ASCN2ASCN8A
SCHEMBL281110 0.81 SCN9A (0.59) SCN9ASCN7ASCN5ASCN2ASCN8A
SCHEMBL4557308 0.81 SCN9A (0.47) SCN9AALDH1A1MEN1KMT2A

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
EP-1888595-B1 SPIRO-OXINDOLE COMPOUNDS AND THEIR USES AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC (CA) 2012-02-01 EP claimed