SCHEMBL328310

SCHEMBL328310

Bc1cccc2c1C1(COc3cc4c(cc31)OCO4)C(=O)N2CC1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 7/20 0.42
BACE1 P56817 1/20 0.41
SCN7A Q01118 1/20 0.39
SCN5A Q14524 1/20 0.39
SCN2A Q99250 1/20 0.39
SCN8A Q9UQD0 1/20 0.39
SCN10A Q9Y5Y9 1/20 0.39
TP53 P04637 3/20 0.39
KDM4E B2RXH2 1/20 0.38
PKM P14618 1/20 0.38
KEAP1 Q14145 1/20 0.38
NFE2L2 Q16236 1/20 0.38
MAPT P10636 3/20 0.38
LMNA P02545 2/20 0.37
UTS2R Q9UKP6 2/20 0.37
SCD5 Q86SK9 1/20 0.37

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
SCHEMBL280762 0.92 SCN9A (0.42) SCN9ABACE1SCN7ASCN5ASCN2A
SCHEMBL10267012 0.90 SCN9A (0.54) SCN9ABACE1SCN7ASCN5ASCN2A
SCHEMBL281917 0.87 TP53 (0.39) SCN9ABACE1TP53MAPTLMNA
SCHEMBL2307297 0.85 SCN9A (0.48) SCN9ABACE1SCN7ASCN5ASCN2A
SCHEMBL281722 0.83 SCN9A (0.58) SCN9ASCN7ASCN5ASCN2ASCN8A
SCHEMBL284065 0.81 SCN9A (0.44) SCN9ABACE1SCN7ASCN5ASCN2A
SCHEMBL2306217 0.81 SCN9A (0.55) SCN9ABACE1SCN7ASCN5ASCN2A
SCHEMBL281544 0.79 SCN9A (0.45) SCN9ABACE1KDM4EPKM
SCHEMBL10258994 0.77 GPR119 (0.39) SCN9ABACE1MAPTUTS2R
SCHEMBL282004 0.75 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-2428515-A1 Spiro-oxindole compounds and their uses as therapeutic agents Xenon Pharmaceuticals Inc. (CA) 2012-03-14 EP disclosed