SCHEMBL7946335

SCHEMBL7946335

Cc1cc(Br)cc(C)c1OC[C@H]1CCCN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.52
FEN1 P39748 3/20 0.49
ALOX5AP P20292 2/20 0.49
CHEK2 O96017 1/20 0.47
IDO1 P14902 1/20 0.44
TDO2 P48775 1/20 0.44
KAT7 O95251 2/20 0.43
KAT8 Q9H7Z6 1/20 0.43
FPR3 P25089 1/20 0.43
FPR2 P25090 1/20 0.43
BACE1 P56817 2/20 0.43
ACKR3 P25106 1/20 0.43
CTSD P07339 1/20 0.43
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
KMT2A Q03164 1/20 0.42
GLS O94925 1/20 0.42
KAT6A Q92794 1/20 0.42
CYP2C9 P11712 1/20 0.41

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
SCHEMBL7946337 1.00 SCN9A (0.52) SCN9AFEN1ALOX5APCHEK2IDO1
SCHEMBL7946350 0.87 FEN1 (0.55) SCN9AFEN1ALOX5APCHEK2KAT7
SCHEMBL7946352 0.87 FEN1 (0.55) SCN9AFEN1ALOX5APCHEK2KAT7
SCHEMBL29576187 0.81 CHEK2 (0.51) SCN9AFEN1ALOX5APCHEK2FPR3
SCHEMBL15638179 0.81 CHEK2 (0.51) SCN9AFEN1ALOX5APCHEK2FPR3
SCHEMBL27158910 0.79 SCN9A (0.55) SCN9AFEN1ALOX5APCHEK2KAT7
SCHEMBL21604498 0.79 CHEK2 (0.56) SCN9AFEN1ALOX5APCHEK2BACE1
SCHEMBL21604654 0.79 CHEK2 (0.56) SCN9AFEN1ALOX5APCHEK2BACE1
SCHEMBL20281486 0.79 CHEK2 (0.56) SCN9AFEN1ALOX5APCHEK2BACE1
SCHEMBL16688859 0.78 CYP2C9 (0.47) SCN9AFEN1ALOX5APCHEK2IDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6262078-B1 Phenoxymethyl piperidine derivatives for the treatment of neuropathic pain SYNTEX (U.S.A.) LLC 2001-07-17 US disclosed
US-6110937-A A SODIUM CHANNEL BLOCKER TREATING AS LOCAL ANESTHETICS AND IN THE TREATMENT OF CARDIAC ARRHYTHMIAS SYNTEX USA, INC. (US) 2000-08-29 US disclosed
EP-0869119-A1 Phenoxymethyl piperidine derivatives being sodium channle blockers F. HOFFMANN-LA ROCHE AG (CH) 1998-10-07 EP disclosed
CN-1194977-A Phenoxymethyl piperidine derivatives HOFFMANN LA ROCHE (CH) 1998-10-07 CN disclosed