SCHEMBL3841679

SCHEMBL3841679

CC(N)Cc1ccc2c(c1)OCCO2

nearest known ligand 0.81

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.81
SLC6A4 P31645 3/20 0.81
SLC6A2 P23975 2/20 0.81
SLC6A3 Q01959 2/20 0.81
PNMT P11086 1/20 0.53
CYP2D6 P10635 2/20 0.53
NPSR1 Q6W5P4 2/20 0.48
ALDH1A1 P00352 1/20 0.48
MAPT P10636 1/20 0.48
CYP3A4 P08684 1/20 0.47
HTR2A P28223 1/20 0.47
HTR2C P28335 1/20 0.47
HTR2B P41595 1/20 0.47
CD274 Q9NZQ7 1/20 0.47

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
SCHEMBL22885190 1.00 TAAR1 (0.81) TAAR1SLC6A4SLC6A2SLC6A3PNMT
SCHEMBL5673567 0.93 TAAR1 (0.76) TAAR1SLC6A4SLC6A2SLC6A3PNMT
Tenamfetamine SCHEMBL30242630 0.89 TAAR1 (1.00) TAAR1SLC6A4SLC6A2SLC6A3CYP2D6
Tenamfetamine SCHEMBL15162053 0.89 TAAR1 (1.00) TAAR1SLC6A4SLC6A2SLC6A3CYP2D6
Tenamfetamine SCHEMBL30242515 0.89 TAAR1 (1.00) TAAR1SLC6A4SLC6A2SLC6A3CYP2D6
Tenamfetamine SCHEMBL9361151 0.89 TAAR1 (1.00) TAAR1SLC6A4SLC6A2SLC6A3CYP2D6
Tenamfetamine SCHEMBL29392330 0.89 TAAR1 (1.00) TAAR1SLC6A4SLC6A2SLC6A3CYP2D6
Tenamfetamine SCHEMBL393456 0.89 TAAR1 (1.00) TAAR1SLC6A4SLC6A2SLC6A3CYP2D6
Tenamfetamine SCHEMBL30904507 0.89 TAAR1 (1.00) TAAR1SLC6A4SLC6A2SLC6A3CYP2D6
Tenamfetamine SCHEMBL5305879 0.88 TAAR1 (0.97) TAAR1SLC6A4SLC6A2SLC6A3CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2118634-A2 DRUG DETECTION KIT AND METHOD Nathaniel, Andrew Homer (ZA) 2009-11-18 EP claimed
US-20080254550-A1 DRUG DETECTION KIT AND METHOD NATHANIEL ANDREW HOMER 2008-10-16 US claimed
WO-2008096225-A2 DRUG DETECTION KIT AND METHOD NATHANIEL ANDREW HOMER (ZA) 2008-08-14 WO claimed
EP-2118634-A2 DRUG DETECTION KIT AND METHOD Nathaniel, Andrew Homer (ZA) 2009-11-18 EP disclosed
US-20080254550-A1 DRUG DETECTION KIT AND METHOD NATHANIEL ANDREW HOMER 2008-10-16 US disclosed
WO-2008096225-A2 DRUG DETECTION KIT AND METHOD NATHANIEL ANDREW HOMER (ZA) 2008-08-14 WO disclosed