SCHEMBL7954768

SCHEMBL7954768

Cc1cc(-c2cccc(N)c2)cc(C)c1OCC1CCCN(C)C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.45
CHRNB4 P30926 2/20 0.45
CHRNA3 P32297 2/20 0.45
CHRNB1 P11230 1/20 0.45
CHRNB3 Q05901 1/20 0.45
CHRM3 P20309 3/20 0.45
SRC P12931 3/20 0.42
GABRA1 P14867 1/20 0.42
GABRG2 P18507 1/20 0.42
GABRB3 P28472 1/20 0.42
GABRA5 P31644 1/20 0.42
GABRA3 P34903 1/20 0.42
GABRA2 P47869 1/20 0.42
MAOA P21397 2/20 0.41
MAOB P27338 2/20 0.41
CHRNA4 P43681 1/20 0.41
EGFR P00533 2/20 0.39
LCK P06239 2/20 0.39
MAP4K4 O95819 1/20 0.39
HRH3 Q9Y5N1 1/20 0.38

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 SCHEMBL7955438 0.99 CHRNB2 (0.44) CHRNB2CHRNB4CHRNA3CHRNB1CHRNB3
Hydrochloric Acid SCHEMBL27504555 0.99 CHRNB2 (0.44) CHRNB2CHRNB4CHRNA3CHRNB1CHRNB3
SCHEMBL7955412 0.86 SRC (0.48) CHRNB2CHRNB4CHRNA3SRCGABRA1
Hydrochloric Acid SCHEMBL7953233 0.86 GABRA1 (0.49) CHRNB2CHRNB4CHRNA3CHRNB1CHRNB3
Hydrochloric Acid SCHEMBL7946347 0.85 SRC (0.47) CHRNB2CHRNB4CHRNA3SRCGABRA1
SCHEMBL7966590 0.82 CHRNB4 (0.49) CHRNB2CHRNB4CHRNA3CHRNB1CHRNB3
SCHEMBL7960094 0.81 ALDH1A1 (0.48) CHRNB2CHRNB4CHRNA3CHRM3SRC
SCHEMBL7953468 0.81 ALDH1A1 (0.48) CHRNB2CHRNB4CHRNA3CHRM3SRC
Hydrochloric Acid SCHEMBL7957102 0.81 CHRNB4 (0.48) CHRNB2CHRNB4CHRNA3CHRNB1CHRNB3
SCHEMBL7960281 0.80 SRC (0.44) CHRNB2CHRNB4CHRNA3CHRM3SRC

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 3 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