SCHEMBL4625904

SCHEMBL4625904

NC(CC1(O)CCCCC1)c1ccc(Br)cc1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MME P08473 2/20 0.36
DPP4 P27487 1/20 0.36
OPRM1 P35372 3/20 0.33
OPRD1 P41143 2/20 0.33
MAPK1 P28482 1/20 0.33
HTR2A P28223 1/20 0.33
OPRK1 P41145 1/20 0.33
OPRL1 P41146 1/20 0.33
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 0.32

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
SCHEMBL4618228 0.85 SLC6A2 (0.45) OPRM1SLC6A2SLC6A4SLC6A3
SCHEMBL3347205 0.80 SLC6A4 (0.51) HTR2ASLC6A2SLC6A4SLC6A3
SCHEMBL8038690 0.80 SLC6A4 (0.51) HTR2ASLC6A2SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL3930855 0.78 SLC6A4 (0.52) HTR2ASLC6A2SLC6A4SLC6A3
SCHEMBL3709825 0.77 NQO1 (0.40) HTR2ASLC6A2SLC6A4SLC6A3
SCHEMBL4627006 0.76 OPRM1 (0.39) OPRM1OPRD1HTR2ASLC6A2SLC6A4
Acetic Acid SCHEMBL5795551 0.74 SLC6A4 (0.46) HTR2ASLC6A2SLC6A4SLC6A3
SCHEMBL12495465 0.74 OPRM1 (0.36) DPP4OPRM1OPRD1OPRK1OPRL1
SCHEMBL4361544 0.73 LMNA (0.45) SLC6A2SLC6A3
SCHEMBL12682199 0.73 SCN4A (0.41) DPP4OPRM1OPRD1OPRK1OPRL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1917237-A2 PROCESSES FOR THE SYNTHESIS OF O-DESMETHYLVENLAFAXINE Teva Pharmaceutical Industries Ltd (IL) 2008-05-07 EP claimed
WO-2008013994-A2 PROCESSES FOR THE SYNTHESIS OF O-DESMETHYLVENLAFAXINE TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2008-01-31 WO claimed
EP-1917237-A2 PROCESSES FOR THE SYNTHESIS OF O-DESMETHYLVENLAFAXINE Teva Pharmaceutical Industries Ltd (IL) 2008-05-07 EP disclosed
WO-2008013994-A2 PROCESSES FOR THE SYNTHESIS OF O-DESMETHYLVENLAFAXINE TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2008-01-31 WO disclosed