SCHEMBL484060

SCHEMBL484060

CCCCCN1C(=O)C2(COc3cc4c(cc32)OCO4)c2c(-c3c(C(C)(C)C)n(C(=O)O)c4ccc(OC)cc34)cccc21

nearest known ligand 0.51

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 15/20 0.51
EDNRA P25101 5/20 0.38
EDNRB P24530 1/20 0.36

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
SCHEMBL4015312 0.86 SCN9A (0.55) SCN9A
SCHEMBL281339 0.83 SCN9A (0.51) SCN9A
SCHEMBL281985 0.80 SCN9A (0.62) SCN9A
SCHEMBL280703 0.80 SCN9A (0.66) SCN9A
SCHEMBL280904 0.80 SCN9A (0.63) SCN9A
SCHEMBL281190 0.79 SCN9A (0.66) SCN9A
SCHEMBL280696 0.77 SCN9A (0.61) SCN9A
SCHEMBL281214 0.76 SCN9A (0.74) SCN9A
SCHEMBL280730 0.76 SCN9A (0.66) SCN9A
SCHEMBL281428 0.76 SCN9A (0.66) SCN9A

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