SCHEMBL5526544

SCHEMBL5526544

Cc1cccc(OC(CCN(C)c2ccccc2)c2ccccc2)c1

nearest known ligand 0.48

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 10/20 0.48
SLC6A4 P31645 5/20 0.46
HRH3 Q9Y5N1 2/20 0.46

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
Oxalic Acid SCHEMBL7309230 0.83 SLC6A4 (0.53) SLC6A9SLC6A4HRH3
SCHEMBL14188840 0.80 ENPP3 (0.54) SLC6A9SLC6A4
SCHEMBL14528299 0.79 SLC6A4 (0.54) SLC6A4
SCHEMBL19564569 0.77 SLC6A9 (0.48) SLC6A9SLC6A4HRH3
SCHEMBL31733949 0.77 SLC6A4 (0.75) SLC6A4HRH3
SCHEMBL1200912 0.77 SLC6A4 (0.75) SLC6A4HRH3
SCHEMBL30163449 0.77 SLC6A4 (0.75) SLC6A4HRH3
SCHEMBL1200769 0.77 SLC6A4 (0.75) SLC6A4HRH3
SCHEMBL5014117 0.77 SLC6A4 (0.75) SLC6A4HRH3
Hydrochloric Acid SCHEMBL4941955 0.76 SLC6A4 (0.73) SLC6A4HRH3

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