SCHEMBL502046

SCHEMBL502046

CC(C)(C)OC(=O)C(C1CCNCC1)N1C(=O)C2(COc3cc4c(cc32)OCO4)c2c(-c3cncnc3)cccc21

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 4/20 0.33
KDM4D Q6B0I6 5/20 0.32
EDNRA P25101 1/20 0.32
SCN7A Q01118 1/20 0.31
SCN5A Q14524 1/20 0.31
SCN2A Q99250 1/20 0.31
SCN8A Q9UQD0 1/20 0.31
SCN10A Q9Y5Y9 1/20 0.31
LMNA P02545 1/20 0.31

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
SCHEMBL501704 0.86 SCN9A (0.36) SCN9AKDM4DEDNRASCN7ASCN5A
SCHEMBL502331 0.78 SCN9A (0.36) SCN9ASCN7ASCN5ASCN2ASCN8A
SCHEMBL281917 0.76 TP53 (0.39) SCN9ALMNA
SCHEMBL280862 0.74 SCN9A (0.47) SCN9ASCN7ASCN5ASCN2ASCN8A
SCHEMBL484076 0.70 SCN9A (0.43) SCN9ASCN7ASCN5ASCN2ASCN8A
SCHEMBL483976 0.69 SCN9A (0.38) SCN9ASCN7ASCN5ASCN2ASCN8A
SCHEMBL280901 0.69 SCN9A (0.67) SCN9ASCN7ASCN5ASCN2ASCN8A
SCHEMBL14221689 0.68 SCN9A (0.37) SCN9ASCN7ASCN5ASCN2ASCN8A
SCHEMBL14221699 0.67 SCN9A (0.36) SCN9ASCN7ASCN5ASCN2ASCN8A
SCHEMBL10258994 0.67 GPR119 (0.39) 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
US-8106087-B2 Spiro-oxindole compounds and their uses as therapeutic agents XENON PHARMACEUTICALS INC. (CA) 2012-01-31 US disclosed