SCHEMBL484116

SCHEMBL484116

CCc1cc(NC(=O)NCCN2C(=O)C3(COc4cc5c(cc43)OCO5)c3ccccc32)ccc1C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 13/20 0.58
SCN7A Q01118 1/20 0.46
SCN5A Q14524 1/20 0.46
SCN2A Q99250 1/20 0.46
SCN8A Q9UQD0 1/20 0.46
SCN10A Q9Y5Y9 1/20 0.46
GSK3B P49841 1/20 0.44
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TSHR P16473 1/20 0.42
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
MAPT P10636 1/20 0.39

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
SCHEMBL484178 0.92 SCN9A (0.56) SCN9ASCN7ASCN5ASCN2ASCN8A
SCHEMBL281533 0.90 SCN9A (0.61) SCN9ASCN7ASCN5ASCN2ASCN8A
SCHEMBL281136 0.89 SCN9A (0.61) SCN9ASCN7ASCN5ASCN2ASCN8A
SCHEMBL281715 0.89 SCN9A (0.62) SCN9ASCN7ASCN5ASCN2ASCN8A
SCHEMBL484188 0.88 SCN9A (0.57) SCN9ASCN7ASCN5ASCN2ASCN8A
SCHEMBL484201 0.88 SCN9A (0.58) SCN9ASCN7ASCN5ASCN2ASCN8A
SCHEMBL484055 0.87 SCN9A (0.58) SCN9ASCN7ASCN5ASCN2ASCN8A
SCHEMBL282151 0.87 SCN9A (0.61) SCN9ASCN7ASCN5ASCN2ASCN8A
SCHEMBL281441 0.87 SCN9A (0.58) SCN9ASCN7ASCN5ASCN2ASCN8A
SCHEMBL281459 0.86 SCN9A (0.57) 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