SCHEMBL2012461

SCHEMBL2012461

CN(C)C1CCCCC1(O)CCc1ccc(O)cc1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 10/20 0.36
SLC6A2 P23975 3/20 0.36
SLC6A4 P31645 3/20 0.36
SLC6A3 Q01959 1/20 0.36
OPRD1 P41143 8/20 0.35
OPRK1 P41145 7/20 0.35
ESR1 P03372 1/20 0.35
ESR2 Q92731 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
OPRL1 P41146 2/20 0.33
TRPA1 O75762 1/20 0.33

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 SCHEMBL5798391 0.84 TSHR (0.46) SLC6A2SLC6A4SLC6A3
SCHEMBL13097377 0.70 ESR1 (0.50) OPRM1SLC6A2SLC6A4SLC6A3ESR1
SCHEMBL7501445 0.70 TRPA1 (0.33) TRPA1
SCHEMBL4270075 0.69 ESR1 (0.48) OPRM1SLC6A2SLC6A4SLC6A3ESR1
SCHEMBL13097331 0.67 ESR1 (0.50) OPRM1SLC6A2SLC6A4SLC6A3ESR1
SCHEMBL10452118 0.66 TRPA1 (0.40) ESR1MEN1KMT2ATRPA1
SCHEMBL10452119 0.66 TRPA1 (0.40) ESR1MEN1KMT2ATRPA1
SCHEMBL10452117 0.66 TRPA1 (0.40) ESR1MEN1KMT2ATRPA1
SCHEMBL6442514 0.66 OPRM1 (0.40) OPRM1OPRD1OPRK1OPRL1TRPA1
SCHEMBL5158078 0.65 OPRM1 (0.40) OPRM1OPRD1OPRK1OPRL1

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-2513041-A1 PROCESS FOR THE PREPARATION OF O-DESMETHYL-VENLAFAXINE AND SALTS THEREOF Pharmathen S.A. (GR) 2012-10-24 EP disclosed
WO-2011072703-A1 PROCESS FOR THE PREPARATION OF O-DESMETHYL-VENLAFAXINE AND SALTS THEREOF PHARMATHEN S.A. (GR) 2011-06-23 WO disclosed
EP-1232141-A1 ETHERS OF O-DESMETHYL VENLAFAXINE Wyeth (US) 2002-08-21 EP disclosed
WO-2001038293-A1 ETHERS OF O-DESMETHYL VENLAFAXINE WYETH (US) 2001-05-31 WO disclosed