SCHEMBL4627006

SCHEMBL4627006

CN(C)C(CC1(O)CCCCC1)c1ccc(Br)cc1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 3/20 0.39
OPRD1 P41143 2/20 0.39
SLC6A2 P23975 7/20 0.38
SLC6A4 P31645 7/20 0.38
SLC6A3 Q01959 5/20 0.38
LMNA P02545 1/20 0.36
CNR1 P21554 1/20 0.36
HTR2A P28223 1/20 0.36
HRH1 P35367 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
PYCR1 P32322 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
SCHEMBL902452 0.86 SLC6A2 (0.52) OPRM1SLC6A2SLC6A4SLC6A3LMNA
SCHEMBL8028845 0.86 SLC6A2 (0.52) OPRM1SLC6A2SLC6A4SLC6A3LMNA
SCHEMBL8028820 0.86 SLC6A2 (0.52) OPRM1SLC6A2SLC6A4SLC6A3LMNA
SCHEMBL4632472 0.84 CHRNB2 (0.43) SLC6A2SLC6A4SLC6A3LMNAHRH3
SCHEMBL10808280 0.84 SLC6A2 (0.36) OPRM1OPRD1SLC6A2SLC6A4SLC6A3
SCHEMBL2761798 0.82 SLC6A2 (0.56) OPRM1OPRD1SLC6A2SLC6A4SLC6A3
SCHEMBL902225 0.82 SLC6A2 (0.56) OPRM1OPRD1SLC6A2SLC6A4SLC6A3
SCHEMBL4967524 0.82 SLC6A2 (0.56) OPRM1OPRD1SLC6A2SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL3349919 0.81 SLC6A2 (0.56) OPRM1OPRD1SLC6A2SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL4739317 0.81 SLC6A2 (0.56) OPRM1OPRD1SLC6A2SLC6A4SLC6A3

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