SCHEMBL7960281

SCHEMBL7960281

CC(=O)Nc1cccc(-c2cc(C)c(OCC3CCCN(C)C3)c(C)c2)c1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SRC P12931 2/20 0.44
CHRNB2 P17787 1/20 0.43
CHRNB4 P30926 1/20 0.43
CHRNA3 P32297 1/20 0.43
CHRNA4 P43681 1/20 0.43
HSD17B10 Q99714 1/20 0.42
HRH3 Q9Y5N1 1/20 0.42
CHRM3 P20309 3/20 0.41
AAK1 Q2M2I8 2/20 0.41
MGLL Q99685 1/20 0.40
GRIA2 P42262 1/20 0.40
KCNH2 Q12809 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
MCHR1 Q99705 1/20 0.40
PIP5K1C O60331 1/20 0.40
PIK3CA P42336 1/20 0.40
MAPK14 Q16539 1/20 0.40

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
Hydrochloric Acid SCHEMBL7953416 0.99 SRC (0.43) SRCCHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL7955412 0.80 SRC (0.48) SRCCHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL7954768 0.80 CHRNB2 (0.45) SRCCHRNB2CHRNB4CHRNA3CHRNA4
Hydrochloric Acid SCHEMBL7953233 0.80 GABRA1 (0.49) SRCCHRNB2CHRNB4CHRNA3CHRNA4
Hydrochloric Acid SCHEMBL27504555 0.79 CHRNB2 (0.44) SRCCHRNB2CHRNB4CHRNA3CHRNA4
Hydrochloric Acid SCHEMBL7955438 0.79 CHRNB2 (0.44) SRCCHRNB2CHRNB4CHRNA3CHRNA4
Hydrochloric Acid SCHEMBL7946347 0.79 SRC (0.47) SRCCHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL7966590 0.78 CHRNB4 (0.49) SRCCHRNB2CHRNB4CHRNA3CHRNA4
Hydrochloric Acid SCHEMBL7957102 0.77 CHRNB4 (0.48) SRCCHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL7960094 0.76 ALDH1A1 (0.48) SRCCHRNB2CHRNB4CHRNA3CHRNA4

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