SCHEMBL484188

SCHEMBL484188

O=C(NCCN1C(=O)C2(COc3cc4c(cc32)OCO4)c2ccccc21)Nc1ccc(C(=O)O)cc1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 15/20 0.57
SCN7A Q01118 1/20 0.49
SCN5A Q14524 1/20 0.49
SCN2A Q99250 1/20 0.49
SCN8A Q9UQD0 1/20 0.49
SCN10A Q9Y5Y9 1/20 0.49
GSK3B P49841 1/20 0.45
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TSHR P16473 1/20 0.41
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
KMT2A Q03164 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
SCHEMBL281715 0.94 SCN9A (0.62) SCN9ASCN7ASCN5ASCN2ASCN8A
SCHEMBL281765 0.93 SCN9A (0.59) SCN9ASCN7ASCN5ASCN2ASCN8A
SCHEMBL281533 0.91 SCN9A (0.61) SCN9ASCN7ASCN5ASCN2ASCN8A
SCHEMBL281476 0.91 SCN9A (0.57) SCN9ASCN7ASCN5ASCN2ASCN8A
SCHEMBL281686 0.91 SCN9A (0.58) SCN9ASCN7ASCN5ASCN2ASCN8A
SCHEMBL282151 0.91 SCN9A (0.61) SCN9ASCN7ASCN5ASCN2ASCN8A
SCHEMBL281456 0.91 SCN9A (0.58) SCN9ASCN7ASCN5ASCN2ASCN8A
SCHEMBL281550 0.90 SCN9A (0.56) SCN9ASCN7ASCN5ASCN2ASCN8A
SCHEMBL484178 0.90 SCN9A (0.56) SCN9ASCN7ASCN5ASCN2ASCN8A
SCHEMBL281183 0.89 SCN9A (0.56) 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