SCHEMBL7954801

SCHEMBL7954801

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.46
MAOB P27338 2/20 0.46
HRH3 Q9Y5N1 6/20 0.41
EGFR P00533 2/20 0.40
FGFR1 P11362 2/20 0.40
FLT1 P17948 2/20 0.40
FLT4 P35916 2/20 0.40
KDR P35968 2/20 0.40
HTR1A P08908 1/20 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
CHRNB4 P30926 2/20 0.39
CHRNA3 P32297 2/20 0.39
CHRNB2 P17787 1/20 0.38
CHRNA4 P43681 1/20 0.38
SRC P12931 1/20 0.37

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
SCHEMBL7946336 1.00 MAOA (0.46) MAOAMAOBHRH3EGFRFGFR1
SCHEMBL7946331 1.00 MAOA (0.46) MAOAMAOBHRH3EGFRFGFR1
Hydrochloric Acid SCHEMBL5180379 0.99 MAOA (0.46) MAOAMAOBHRH3EGFRFGFR1
Hydrochloric Acid SCHEMBL5180377 0.99 MAOA (0.46) MAOAMAOBHRH3EGFRFGFR1
Hydrochloric Acid SCHEMBL7955447 0.87 HTR1A (0.52) MAOAMAOBHRH3EGFRHTR1A
SCHEMBL27487065 0.86 MAOA (0.46) MAOAMAOBHRH3EGFRFGFR1
SCHEMBL14578118 0.86 MAOA (0.46) MAOAMAOBHRH3HTR1AGABRA1
SCHEMBL7954774 0.86 MAOA (0.46) MAOAMAOBHRH3HTR1AGABRA1
SCHEMBL14578178 0.86 MAOA (0.46) MAOAMAOBHRH3EGFRHTR1A
Hydrochloric Acid SCHEMBL7960144 0.84 MAOA (0.46) MAOAMAOBHRH3EGFRHTR1A

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