SCHEMBL7960094

SCHEMBL7960094

Cc1cccc(C)c1OC[C@H]1CCCN(C)C1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.48
MAOA P21397 2/20 0.47
MAOB P27338 2/20 0.47
SRC P12931 3/20 0.46
EGFR P00533 2/20 0.46
LCK P06239 2/20 0.46
GABRA1 P14867 1/20 0.45
GABRG2 P18507 1/20 0.45
GABRB3 P28472 1/20 0.45
GABRA5 P31644 1/20 0.45
GABRA3 P34903 1/20 0.45
GABRA2 P47869 1/20 0.45
CHRNB2 P17787 1/20 0.44
CHRNB4 P30926 1/20 0.44
CHRNA3 P32297 1/20 0.44
CHRNA4 P43681 1/20 0.44
KDM4E B2RXH2 1/20 0.43
ATM Q13315 1/20 0.43
CHRM2 P08172 2/20 0.42
ADRA2A P08913 2/20 0.42

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
SCHEMBL7953468 1.00 ALDH1A1 (0.48) ALDH1A1MAOAMAOBSRCEGFR
Hydrochloric Acid SCHEMBL7946344 0.98 MAOA (0.48) ALDH1A1MAOAMAOBSRCEGFR
Hydrochloric Acid SCHEMBL7960148 0.98 MAOA (0.48) ALDH1A1MAOAMAOBSRCEGFR
Hydrochloric Acid SCHEMBL7954811 0.98 MAOA (0.48) ALDH1A1MAOAMAOBSRCEGFR
SCHEMBL14578161 0.88 MAOA (0.42) ALDH1A1MAOAMAOBSRCEGFR
Hydrochloric Acid SCHEMBL7955447 0.84 HTR1A (0.52) ALDH1A1MAOAMAOBSRCEGFR
SCHEMBL7953469 0.83 ALDH1A1 (0.47) ALDH1A1DRD3
SCHEMBL7953471 0.83 ALDH1A1 (0.47) ALDH1A1DRD3
Hydrochloric Acid SCHEMBL7960100 0.83 ALDH1A1 (0.47) ALDH1A1MAOAMAOBDRD3
Hydrochloric Acid SCHEMBL7953233 0.83 GABRA1 (0.49) MAOAMAOBSRCEGFRLCK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
EP-0869119-A1 Phenoxymethyl piperidine derivatives being sodium channle blockers F. HOFFMANN-LA ROCHE AG (CH) 1998-10-07 EP claimed
CN-1194977-A Phenoxymethyl piperidine derivatives HOFFMANN LA ROCHE (CH) 1998-10-07 CN claimed
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