SCHEMBL30445285

SCHEMBL30445285

CC(C)(C)OC(=O)Nc1c(-c2ccccc2F)ccnc1C1CCC(F)(F)CC1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 4/20 0.38
MAPT P10636 3/20 0.38
ATR Q13535 1/20 0.37
GSK3A P49840 1/20 0.34
SCN10A Q9Y5Y9 1/20 0.34
TSHR P16473 1/20 0.34
FSHR P23945 1/20 0.34
CHRM3 P20309 2/20 0.33
ACACB O00763 1/20 0.33
ACACA Q13085 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA2B P29275 1/20 0.33
ADORA1 P30542 1/20 0.33
HCRTR1 O43613 1/20 0.33
IDO1 P14902 1/20 0.33
SYK P43405 1/20 0.33
AAK1 Q2M2I8 1/20 0.32
PDE10A Q9Y233 1/20 0.32
NPY5R Q15761 1/20 0.32

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
SCHEMBL26151941 1.00 GSK3B (0.38) GSK3BMAPTATRGSK3ASCN10A
SCHEMBL30418001 0.89 TRPV1 (0.38) GSK3BMAPTATRSCN10ATSHR
SCHEMBL26152155 0.89 TRPV1 (0.38) GSK3BMAPTATRSCN10ATSHR
SCHEMBL25184331 0.89 CDK9 (0.38) GSK3BMAPTATRGSK3ASCN10A
SCHEMBL30419312 0.86 ATR (0.37) ATRSCN10ATSHRFSHRACACB
SCHEMBL30417617 0.84 CDK9 (0.36) ATRSCN10ATSHRFSHRSYK
SCHEMBL31058907 0.84 CDK9 (0.36) ATRSCN10ATSHRFSHRSYK
SCHEMBL30419779 0.84 IDH1 (0.37) ATRSCN10ATSHRFSHRSYK
SCHEMBL26152171 0.84 IDH1 (0.37) ATRSCN10ATSHRFSHRSYK
SCHEMBL26152168 0.84 CDK9 (0.36) ATRSCN10ATSHRFSHRSYK

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4405344-A2 PYRIDINYL DERIVATIVES AS SODIUM CHANNEL ACTIVATORS Xenon Pharmaceuticals Inc. (CA) 2024-07-31 EP disclosed
WO-2023049369-A2 PYRIDINYL DERIVATIVES AS SODIUM CHANNEL ACTIVATORS XENON PHARMACEUTICALS INC. (CA) 2023-03-30 WO disclosed