SCHEMBL3920693

SCHEMBL3920693

NC(Cc1ccc(O)cc1)C1(O)CCCCC1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.47
SLC6A2 P23975 3/20 0.47
SLC6A4 P31645 2/20 0.45
OPRM1 P35372 1/20 0.45
SLC6A3 Q01959 1/20 0.45
SLC7A5 Q01650 1/20 0.43
ESR1 P03372 3/20 0.40
ESR2 Q92731 3/20 0.40
OPRK1 P41145 1/20 0.37
HDAC8 Q9BY41 2/20 0.37
ABAT P80404 1/20 0.36

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
Hydrochloric Acid SCHEMBL3925426 0.98 SLC6A2 (0.47) TAAR1SLC6A2SLC6A4OPRM1SLC6A3
SCHEMBL1661396 0.84 EPHX1 (0.45) TAAR1SLC6A2SLC6A4SLC6A3SLC7A5
SCHEMBL1152681 0.84 EPHX1 (0.45) TAAR1SLC6A2SLC6A4SLC6A3SLC7A5
SCHEMBL1153151 0.82 EPHX1 (0.47) TAAR1SLC6A2SLC6A4SLC6A3SLC7A5
SCHEMBL1661394 0.82 EPHX1 (0.47) TAAR1SLC6A2SLC6A4SLC6A3SLC7A5
SCHEMBL4407969 0.81 SLC6A4 (0.51) SLC6A2SLC6A4SLC6A3
SCHEMBL1153125 0.79 EPHX1 (0.47) TAAR1SLC6A2SLC6A4OPRM1SLC6A3
SCHEMBL1870612 0.76 SLC6A2 (0.52) TAAR1SLC6A2SLC6A4OPRM1SLC6A3
SCHEMBL3414882 0.76 SLC6A2 (0.46) TAAR1SLC6A2SLC6A4OPRM1SLC6A3
SCHEMBL4665051 0.76 SLC6A2 (0.52) TAAR1SLC6A2SLC6A4OPRM1SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2061750-A2 IMPROVED PROCESS FOR SYNTHESIZING DESVENLAFAXINE FREE BASE AND SALTS OR SOLVATES THEREOF Medichem, S.A. (ES) 2009-05-27 EP claimed
WO-2008015584-A2 IMPROVED PROCESS FOR SYNTHESIZING DESVENLAFAXINE FREE BASE AND SALTS OR SOLVATES THEREOF MEDICHEM, S.A. (US) 2008-02-07 WO claimed
WO-2009073066-A1 PROCESSES FOR THE SYNTHESIS OF O-DESMETHYLVENLAFAXINE TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2009-06-11 WO disclosed
EP-2061750-A2 IMPROVED PROCESS FOR SYNTHESIZING DESVENLAFAXINE FREE BASE AND SALTS OR SOLVATES THEREOF Medichem, S.A. (ES) 2009-05-27 EP disclosed
EP-2035366-A1 PROCESS FOR PREPARATION OF 0-DESMETHYLVENLAFAXINE AND ITS ANALOGUES KRKA (SI) 2009-03-18 EP disclosed
EP-1934168-A2 TRIDESMETHYLVENLAFAXINE AND PROCESSES FOR THE SYNTHESIS OF O-DESMETHYLVENLAFAXINE Teva Pharmaceutical Industries Ltd (IL) 2008-06-25 EP disclosed
WO-2008015584-A2 IMPROVED PROCESS FOR SYNTHESIZING DESVENLAFAXINE FREE BASE AND SALTS OR SOLVATES THEREOF MEDICHEM, S.A. (US) 2008-02-07 WO disclosed
WO-2008013995-A2 TRIDESMETHYLVENLAFAXINE AND PROCESSES FOR THE SYNTHESIS OF O-DESMETHYLVENLAFAXINE TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2008-01-31 WO disclosed
WO-2007147564-A1 PROCESS FOR PREPARATION OF 0-DESMETHYLVENLAFAXINE AND ITS ANALOGUES KRKA (SI) 2007-12-27 WO disclosed