SCHEMBL871941

SCHEMBL871941

CC(CCN)CC1(c2ccc(Cl)cc2)CCC1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 17/20 0.53
SLC6A4 P31645 16/20 0.53
SLC6A2 P23975 9/20 0.45
CYP3A4 P08684 2/20 0.44
ALOX15 P16050 2/20 0.44
TSHR P16473 2/20 0.44
TP53 P04637 1/20 0.44
CHRM2 P08172 1/20 0.40
ADRA2A P08913 1/20 0.40
ADRA2B P18089 1/20 0.40
ADRA2C P18825 1/20 0.40
HTR2A P28223 1/20 0.40
OPRK1 P41145 1/20 0.40
HTR2B P41595 1/20 0.40
KCNH2 Q12809 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
MAPK1 P28482 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
SCHEMBL8040636 1.00 SLC6A3 (0.53) SLC6A3SLC6A4SLC6A2CYP3A4ALOX15
SCHEMBL8606048 1.00 SLC6A3 (0.53) SLC6A3SLC6A4SLC6A2CYP3A4ALOX15
Hydrochloric Acid SCHEMBL5313076 0.98 SLC6A3 (0.51) SLC6A3SLC6A4SLC6A2CYP3A4ALOX15
Hydrochloric Acid SCHEMBL10761073 0.97 SLC6A3 (0.50) SLC6A3SLC6A4SLC6A2CYP3A4ALOX15
SCHEMBL5086480 0.95 SLC6A3 (0.59) SLC6A3SLC6A4SLC6A2CYP3A4ALOX15
SCHEMBL15065548 0.94 SLC6A3 (0.47) SLC6A3SLC6A4SLC6A2CYP3A4ALOX15
SCHEMBL871578 0.85 SLC6A3 (0.53) SLC6A3SLC6A4SLC6A2
SCHEMBL872307 0.84 SLC6A3 (0.61) SLC6A3SLC6A4SLC6A2
SCHEMBL15065354 0.83 LMNA (0.43) SLC6A3SLC6A4SLC6A2LMNA
SCHEMBL5085857 0.83 SLC6A3 (0.63) SLC6A3SLC6A4SLC6A2CYP3A4ALOX15

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1653911-A2 METHODS FOR TREATING METABOLIC SYNDROME Abbott Laboratories (US) 2006-05-10 EP claimed
WO-2005016269-A2 METHODS FOR TREATING METABOLIC SYNDROME ABBOTT LABORATORIES (US) 2005-02-24 WO claimed
JP-2002535273-A 2002-10-22 JP claimed
EP-1150672-A1 METHOD TO AID SMOKING CESSATION KNOLL PHARMACEUTICAL COMPANY (US) 2001-11-07 EP claimed
WO-2000043002-A1 METHOD TO AID SMOKING CESSATION KNOLL PHARMACEUTICAL COMPANY (US) 2000-07-27 WO claimed
EP-2797870-A1 COMPOSITIONS, SYNTHESIS, AND METHODS OF USING PHENYLCYCLOALKYLMETHYLAMINE DERIVATIVES Reviva Pharmaceuticals, Inc. (US) 2014-11-05 EP disclosed
WO-2013102195-A1 COMPOSITIONS, SYNTHESIS, AND METHODS OF USING PHENYLCYCLOALKYLMETHYLAMINE DERIVATIVES REVIVA PHARMACEUTICALS, INC. (US) 2013-07-04 WO disclosed
WO-2012003501-A2 COMPOSITIONS, SYNTHESIS, AND METHODS OF USING CYCLOALKYLMETHYLAMINE DERIVATIVES REVIVA PHARMACEUTICALS, INC. (US) 2012-01-05 WO disclosed
WO-2007041463-A2 ELECTRICAL DEVICES AND ANTI-SCARRING DRUG COMBINATIONS COMBINATORX, INCORPORATED (US) 2007-04-12 WO disclosed
EP-1497272-A4 METHOD OF PREPARING AMINE STEREOISOMERS APSINTERM LLC (US) 2007-02-07 EP disclosed
EP-1742624-A2 DOPAMINE-AGONIST COMBINATION THERAPY WITH SEDATIVES FOR IMPROVING SLEEP QUALITY Sepracor, Inc. (US) 2007-01-17 EP disclosed
WO-2005079851-A2 DOPAMINE-AGONIST COMBINATION THERAPY WITH SEDATIVES FOR IMPROVING SLEEP QUALITY SEPRACOR, INC. (US) 2005-09-01 WO disclosed
WO-2002060424-A2 METHODS OF USING AND COMPOSITIONS COMPRISING SIBUTRAMINE METABOLITES OPTIONALLY IN COMBINATION WITH OTHER PHARMACOLOGICALLY ACTIVE COMPOUNDS SEPRACOR, INC. (US) 2002-08-08 WO disclosed
WO-2002060428-A2 METHODS OF USING AND COMPOSITIONS COMPRISING (-)SIBUTRAMINE OPTIONALLY IN COMBINATION WITH OTHER PHARMACOLOGICALLY ACTIVE COMPOUNDS SEPRACOR, INC. (US) 2002-08-08 WO disclosed
WO-2002022114-A2 METHODS AND COMPOSITIONS FOR THE TREATMENT AND PREVENTION OF SEXUAL DYSFUNCTION SEPRACOR INC. (US) 2002-03-21 WO disclosed
EP-1150672-A1 METHOD TO AID SMOKING CESSATION KNOLL PHARMACEUTICAL COMPANY (US) 2001-11-07 EP disclosed
WO-2001051453-A1 RACEMIC AND OPTICALLY PURE METABOLITES OF SIBUTRAMINE, THEIR PREPARATION, COMPOSITIONS COMPRISING THEM AND THEIR USE AS DOPAMINE REUPTAKE INHIBITORS SEPRACOR INC. (US) 2001-07-19 WO disclosed
EP-1107746-A2 METHODS OF USING AND COMPOSITIONS COMPRISING DOPAMINE REUPTAKE INHIBITORS Sepracor Inc. (US) 2001-06-20 EP disclosed
WO-2000043002-A1 METHOD TO AID SMOKING CESSATION KNOLL PHARMACEUTICAL COMPANY (US) 2000-07-27 WO disclosed
WO-2000010551-A2 METHODS OF USING AND COMPOSITIONS COMPRISING DOPAMINE REUPTAKE INHIBITORS SEPRACOR INC. (US) 2000-03-02 WO disclosed