SCHEMBL484178

SCHEMBL484178

Cc1cc(NC(=O)NCCN2C(=O)C3(COc4cc5c(cc43)OCO5)c3ccccc32)ccc1C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 12/20 0.56
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
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 4/20 0.42
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
TSHR P16473 1/20 0.42
KDM4E B2RXH2 1/20 0.40

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
SCHEMBL484116 0.92 SCN9A (0.58) SCN9ASCN7ASCN5ASCN2ASCN8A
SCHEMBL281537 0.90 SCN9A (0.56) SCN9ASCN7ASCN5ASCN2ASCN8A
SCHEMBL484188 0.90 SCN9A (0.57) SCN9ASCN7ASCN5ASCN2ASCN8A
SCHEMBL281533 0.90 SCN9A (0.61) SCN9ASCN7ASCN5ASCN2ASCN8A
SCHEMBL282151 0.89 SCN9A (0.61) SCN9ASCN7ASCN5ASCN2ASCN8A
SCHEMBL281715 0.89 SCN9A (0.62) SCN9ASCN7ASCN5ASCN2ASCN8A
SCHEMBL484091 0.89 SCN9A (0.55) SCN9ASCN7ASCN5ASCN2ASCN8A
SCHEMBL281472 0.88 SCN9A (0.56) SCN9ASCN7ASCN5ASCN2ASCN8A
SCHEMBL281373 0.88 SCN9A (0.56) SCN9ASCN7ASCN5ASCN2ASCN8A
SCHEMBL281617 0.87 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