SCHEMBL483948

SCHEMBL483948

CCCCCCN1C(=O)C(C2=CC3=C(CC2)OCO3)(C(CC)C(=O)O)c2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 16/20 0.47
EDNRB P24530 1/20 0.37
EDNRA P25101 1/20 0.37
OPRL1 P41146 1/20 0.37
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
ALOX12 P18054 1/20 0.36
KMT2A Q03164 1/20 0.36
TDP1 Q9NUW8 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
SCHEMBL281265 0.78 SCN9A (0.58) SCN9AALDH1A1
SCHEMBL281669 0.70 SCN9A (0.69) SCN9A
SCHEMBL4854549 0.67 SCN9A (0.67) SCN9A
SCHEMBL4854542 0.66 SCN9A (0.75) SCN9A
SCHEMBL4597622 0.64 SCN9A (1.00) SCN9A
SCHEMBL282062 0.64 SCN9A (0.64) SCN9AALDH1A1
SCHEMBL281474 0.63 SCN9A (0.76) SCN9A
SCHEMBL4597530 0.63 SCN9A (0.63) SCN9A
SCHEMBL282028 0.63 SCN9A (0.80) SCN9A
SCHEMBL281707 0.63 SCN9A (1.00) 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 disclosed