SCHEMBL7889356

SCHEMBL7889356

CN(C)C[C@@H]1CCCC[C@@]1(O)c1cccc(Cl)c1

nearest known ligand 0.75

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 15/20 0.75
SLC6A2 P23975 13/20 0.75
OPRM1 P35372 12/20 0.75
OPRD1 P41143 4/20 0.75
OPRK1 P41145 4/20 0.75
MEN1 O00255 2/20 0.75
KMT2A Q03164 2/20 0.75
SLC22A1 O15245 3/20 0.70
CHRM2 P08172 1/20 0.70
CHRM1 P11229 1/20 0.70
SMN1; SMN2 Q16637 1/20 0.65
TDP1 Q9NUW8 1/20 0.65
SLC6A3 Q01959 2/20 0.51

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
Desmetramadol SCHEMBL57246 0.86 OPRM1 (1.00) SLC6A4SLC6A2OPRM1OPRD1OPRK1
O-Desmethyl Tramadol SCHEMBL4396391 0.86 OPRM1 (1.00) SLC6A4SLC6A2OPRM1OPRD1OPRK1
O-Desmethyl Tramadol SCHEMBL2517055 0.86 OPRM1 (1.00) SLC6A4SLC6A2OPRM1OPRD1OPRK1
O-Desmethyl Tramadol SCHEMBL4396389 0.86 OPRM1 (1.00) SLC6A4SLC6A2OPRM1OPRD1OPRK1
Desmetramadol SCHEMBL12125413 0.86 OPRM1 (1.00) SLC6A4SLC6A2OPRM1OPRD1OPRK1
SCHEMBL7921501 0.86 SLC6A4 (0.77) SLC6A4SLC6A2OPRM1OPRD1OPRK1
SCHEMBL6944014 0.85 SLC6A4 (0.75) SLC6A4SLC6A2OPRM1OPRD1OPRK1
O-Desmethyl Tramadol SCHEMBL7882257 0.85 OPRM1 (0.97) SLC6A4SLC6A2OPRM1OPRD1OPRK1
Desmetramadol SCHEMBL2410234 0.85 OPRM1 (0.97) SLC6A4SLC6A2OPRM1OPRD1OPRK1
SCHEMBL2615420 0.85 SLC6A4 (0.75) SLC6A4SLC6A2OPRM1OPRD1OPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE37355-E1 6-dimethylaminomethyl-1-phenyl-cyclohexane compounds as pharmaceutical active ingredients GRUENENTHAL GMBH (DE) 2001-09-04 US disclosed
US-5733936-A ANALGESICS GRUENENTHAL GMBH (DE) 1998-03-31 US disclosed