SCHEMBL7954774

SCHEMBL7954774

Cc1cc(O)cc(C)c1OCC1CCCN(C)C1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.46
MAOB P27338 2/20 0.46
HTR1A P08908 1/20 0.42
HRH3 Q9Y5N1 3/20 0.40
CHRNB4 P30926 4/20 0.40
CHRNA3 P32297 4/20 0.40
CHRNB2 P17787 2/20 0.40
CHRNA4 P43681 2/20 0.40
GABRA1 P14867 1/20 0.39
GABRG2 P18507 1/20 0.39
GABRB3 P28472 1/20 0.39
GABRA5 P31644 1/20 0.39
GABRA3 P34903 1/20 0.39
GABRA2 P47869 1/20 0.39
IRAK4 Q9NWZ3 1/20 0.39

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 SCHEMBL7960144 0.99 MAOA (0.46) MAOAMAOBHTR1AHRH3CHRNB4
Hydrochloric Acid SCHEMBL7955447 0.87 HTR1A (0.52) MAOAMAOBHTR1AHRH3CHRNB4
SCHEMBL14578118 0.86 MAOA (0.46) MAOAMAOBHTR1AHRH3CHRNB4
SCHEMBL7954801 0.86 MAOA (0.46) MAOAMAOBHTR1AHRH3CHRNB4
SCHEMBL27487065 0.86 MAOA (0.46) MAOAMAOBHTR1AHRH3CHRNB4
SCHEMBL7946331 0.86 MAOA (0.46) MAOAMAOBHTR1AHRH3CHRNB4
SCHEMBL14578178 0.86 MAOA (0.46) MAOAMAOBHTR1AHRH3CHRNB4
SCHEMBL7946336 0.86 MAOA (0.46) MAOAMAOBHTR1AHRH3CHRNB4
Hydrochloric Acid SCHEMBL5180377 0.84 MAOA (0.46) MAOAMAOBHTR1AHRH3CHRNB4
Hydrochloric Acid SCHEMBL7953439 0.84 MAOA (0.46) MAOAMAOBHTR1AHRH3CHRNB4

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