SCHEMBL484076

SCHEMBL484076

O=C(O)N1CCC(CN2C(=O)C3(COc4cc5c(cc43)OCO5)c3c(-c4cncnc4)cccc32)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 15/20 0.43
SCN7A Q01118 1/20 0.37
SCN5A Q14524 1/20 0.37
SCN2A Q99250 1/20 0.37
SCN8A Q9UQD0 1/20 0.37
SCN10A Q9Y5Y9 1/20 0.37
BTK Q06187 2/20 0.34
CYP1A2 P05177 1/20 0.34
LCK P06239 1/20 0.34
FYN P06241 1/20 0.34
YES1 P07947 1/20 0.34
LYN P07948 1/20 0.34
RET P07949 1/20 0.34
HCK P08631 1/20 0.34
CYP3A4 P08684 1/20 0.34
FGR P09769 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
SRC P12931 1/20 0.34
CYP2C19 P33261 1/20 0.34

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
SCHEMBL281917 0.89 TP53 (0.39) SCN9ALMNABACE1
SCHEMBL483976 0.88 SCN9A (0.38) SCN9ASCN7ASCN5ASCN2ASCN8A
SCHEMBL484161 0.85 SCN9A (0.45) SCN9ASCN7ASCN5ASCN2ASCN8A
SCHEMBL10258994 0.80 GPR119 (0.39) SCN9ABACE1
SCHEMBL280901 0.78 SCN9A (0.67) SCN9ASCN7ASCN5ASCN2ASCN8A
SCHEMBL280862 0.77 SCN9A (0.47) SCN9ASCN7ASCN5ASCN2ASCN8A
SCHEMBL282167 0.75 SCN9A (0.61) SCN9ASCN7ASCN5ASCN2ASCN8A
SCHEMBL328310 0.74 SCN9A (0.42) SCN9ASCN7ASCN5ASCN2ASCN8A
SCHEMBL280762 0.74 SCN9A (0.42) SCN9ASCN7ASCN5ASCN2ASCN8A
SCHEMBL2305572 0.73 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