SCHEMBL7172155

SCHEMBL7172155

CC1CCCC(CN(C)C)C1(O)c1cccc(O)c1.COc1cccc(C2(O)C(C)CCCC2CN(C)C)c1

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 19/20 0.60
SLC6A2 P23975 17/20 0.60
OPRM1 P35372 16/20 0.60
SLC22A1 O15245 2/20 0.60
OPRD1 P41143 2/20 0.60
OPRK1 P41145 2/20 0.60
MEN1 O00255 2/20 0.60
KMT2A Q03164 2/20 0.60
CHRM2 P08172 1/20 0.60
CHRM1 P11229 1/20 0.60

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
SCHEMBL4374880 0.94 SLC6A2 (0.66) SLC6A4SLC6A2OPRM1SLC22A1OPRD1
SCHEMBL6744715 0.91 OPRM1 (0.64) SLC6A4SLC6A2OPRM1SLC22A1OPRD1
SCHEMBL6741527 0.91 OPRM1 (0.64) SLC6A4SLC6A2OPRM1SLC22A1OPRD1
SCHEMBL6784987 0.91 OPRM1 (0.64) SLC6A4SLC6A2OPRM1SLC22A1OPRD1
Hydrochloric Acid SCHEMBL6780749 0.90 OPRM1 (0.62) SLC6A4SLC6A2OPRM1SLC22A1OPRD1
Hydrochloric Acid SCHEMBL7186390 0.90 OPRM1 (0.62) SLC6A4SLC6A2OPRM1SLC22A1OPRD1
Hydrochloric Acid SCHEMBL6780745 0.90 OPRM1 (0.62) SLC6A4SLC6A2OPRM1SLC22A1OPRD1
SCHEMBL6743948 0.84 SLC6A4 (0.52) SLC6A4SLC6A2OPRM1SLC22A1OPRD1
SCHEMBL6741554 0.84 SLC6A4 (0.52) SLC6A4SLC6A2OPRM1SLC22A1OPRD1
SCHEMBL6742994 0.83 SLC6A2 (0.52) SLC6A4SLC6A2OPRM1SLC22A1OPRD1

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
EP-1322593-A1 O-SUBSTITUTED 6-METHYL-TRAMADOL DERIVATIVES Grünenthal GmbH (DE) 2003-07-02 EP claimed
WO-2002026694-A1 O-SUBSTITUTED 6-METHYL-TRAMADOL DERIVATIVES Grünenthal GmbH (DE) 2002-04-04 WO claimed