SCHEMBL484029

SCHEMBL484029

Cc1cc(CN2C(=O)C3(COc4cc5c(cc43)OCO5)c3ccccc32)ccc1C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 15/20 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 5/20 0.51
LMNA P02545 1/20 0.51
GAA P10253 1/20 0.51
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
KDM4E B2RXH2 1/20 0.46
USP2 O75604 1/20 0.46
MAPT P10636 1/20 0.46
HTT P42858 1/20 0.46

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
SCHEMBL16752609 0.95 SCN9A (0.54) SCN9ASCN7ASCN5ASCN2ASCN8A
SCHEMBL281454 0.88 SCN9A (0.61) SCN9ASCN7ASCN5ASCN2ASCN8A
SCHEMBL16752610 0.87 SCN9A (0.55) SCN9ASCN7ASCN5ASCN2ASCN8A
SCHEMBL281188 0.86 SCN9A (0.61) SCN9ASCN7ASCN5ASCN2ASCN8A
SCHEMBL484051 0.86 SCN9A (0.58) SCN9ASCN7ASCN5ASCN2ASCN8A
SCHEMBL281292 0.86 SCN9A (0.67) SCN9ASCN7ASCN5ASCN2ASCN8A
SCHEMBL280889 0.85 SCN9A (0.62) SCN9ASCN7ASCN5ASCN2ASCN8A
SCHEMBL484089 0.85 SCN9A (0.59) SCN9ASCN7ASCN5ASCN2ASCN8A
SCHEMBL281281 0.85 SCN9A (0.69) SCN9ASCN7ASCN5ASCN2ASCN8A
SCHEMBL281110 0.84 SCN9A (0.59) 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 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