SCHEMBL5530174

SCHEMBL5530174

Cc1cccc(OC(CC(C)N)c2ccccc2)c1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 4/20 0.43
ACHE P22303 1/20 0.40
GAA P10253 2/20 0.39
ALDH1A1 P00352 1/20 0.39
OPRM1 P35372 1/20 0.39
OPRD1 P41143 1/20 0.39
NPSR1 Q6W5P4 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
DRD2 P14416 1/20 0.38
DRD4 P21917 1/20 0.38
AOC3 Q16853 1/20 0.38
ENPP3 O14638 1/20 0.38
LMNA P02545 1/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A3 Q01959 1/20 0.38
MAPK1 P28482 1/20 0.38

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
SCHEMBL7049659 0.86 SLC6A4 (0.53) SLC6A4SLC6A2SLC6A3
SCHEMBL5533205 0.83 SLC6A9 (0.46) SLC6A4NPSR1SLC6A2SLC6A3
Oxalic Acid SCHEMBL7315983 0.82 SLC6A4 (0.46) SLC6A4
SCHEMBL14528299 0.81 SLC6A4 (0.54) SLC6A4SLC6A2SLC6A3
SCHEMBL5394251 0.81 HTR2A (0.45) SLC6A4SLC6A2SLC6A3
SCHEMBL7053972 0.79 SLC6A4 (0.49) SLC6A4ALDH1A1DRD2DRD4LMNA
SCHEMBL14188840 0.79 ENPP3 (0.54) SLC6A4ACHEENPP3SLC6A2
Maleic Acid SCHEMBL11238099 0.78 LMNA (0.45) L3MBTL1LMNA
SCHEMBL17280830 0.77 SLC7A5 (0.59) SLC6A4SLC6A2SLC6A3
SCHEMBL7053968 0.76 NOS2 (0.44) SLC6A4OPRM1L3MBTL1SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1761478-A2 AN ISOLATED ATOMOXETINE IMPURITY, PROCESSES FOR THE PREPARATION OF ATOMOXETINE IMPURITIES AND THEIR USE AS REFERENCE STANDARDS Teva Pharmaceutical Fine Chemicals S.R.L. (IT) 2007-03-14 EP disclosed
WO-2006004979-A2 AN ISOLATED ATOMOXETINE IMPURITY, PROCESSES FOR THE PREPARATION OF ATOMOXETINE IMPURITIES AND THEIR USE AS REFERENCE STANDARDS TEVA PHARMACEUTICAL FINE CHEMICALS S.R.L. (IT) 2006-01-12 WO disclosed