SCHEMBL7531306

SCHEMBL7531306

COc1cccc(C2(CN(C)C)CCCCC2O)c1

nearest known ligand 0.73

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 18/20 0.73
SLC6A3 Q01959 8/20 0.73
SLC6A2 P23975 9/20 0.58
OPRM1 P35372 6/20 0.58
SLC22A1 O15245 3/20 0.58
CHRM2 P08172 1/20 0.58
CHRM1 P11229 1/20 0.58
OPRD1 P41143 1/20 0.58
OPRK1 P41145 1/20 0.58
MEN1 O00255 1/20 0.58
KMT2A Q03164 1/20 0.58

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
SCHEMBL3518984 0.85 SLC6A4 (1.00) SLC6A4SLC6A3SLC6A2OPRM1SLC22A1
SCHEMBL3518987 0.85 SLC6A4 (1.00) SLC6A4SLC6A3SLC6A2OPRM1SLC22A1
SCHEMBL3519584 0.85 SLC6A4 (1.00) SLC6A4SLC6A3SLC6A2OPRM1SLC22A1
SCHEMBL3519583 0.85 SLC6A4 (1.00) SLC6A4SLC6A3SLC6A2OPRM1SLC22A1
SCHEMBL3518982 0.85 SLC6A4 (1.00) SLC6A4SLC6A3SLC6A2OPRM1SLC22A1
SCHEMBL4398580 0.82 SLC6A4 (0.57) SLC6A4SLC6A3SLC6A2OPRM1SLC22A1
SCHEMBL11078094 0.82 SLC6A4 (0.52) SLC6A4SLC6A3SLC6A2OPRM1SLC22A1
SCHEMBL4394653 0.82 SLC6A4 (0.56) SLC6A4SLC6A3SLC6A2OPRM1SLC22A1
SCHEMBL4391875 0.82 SLC6A4 (0.56) SLC6A4SLC6A3SLC6A2OPRM1SLC22A1
SCHEMBL11078071 0.80 SLC6A4 (0.50) SLC6A4SLC6A3SLC6A2OPRM1SLC22A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1187804-A1 METHOD FOR SEPARATING THE DIASTEREOMER BASES OF 2- (DIMETHYLAMINO)METHYL]-1-(3-METHOXYPHENYL)-CYCLOHEXANOL Grünenthal GmbH (DE) 2002-03-20 EP disclosed
US-20010006967-A1 METHOD OF SIMULTANEOUSLY ENHANCING ANALGESIC POTENCY AND ATTENUATING ADVERSE SIDE EFFECTS CAUSED BY TRAMADOL AND OTHER BIMODALLY-ACTING OPIOID AGONISTS ALBERT EINSTEIN COLLEGE OF MEDICINE OF YESHIVA UNIVERSITY, A CORP. OF NEW YORK 2001-07-05 US disclosed
WO-2000078705-A1 METHOD FOR SEPARATING THE DIASTEREOMER BASES OF 2-[(DIMETHYLAMINO)METHYL]-1-(3-METHOXYPHENYL)-CYCLOHEXANOL Grünenthal GmbH (DE) 2000-12-28 WO disclosed