SCHEMBL7023201

SCHEMBL7023201

CN(C)CC1CCCCC1(O)c1cccc(-c2cccc(C(=O)O)c2OC(=O)N(C)C)c1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 11/20 0.54
OPRD1 P41143 6/20 0.54
OPRK1 P41145 4/20 0.54
SLC6A4 P31645 13/20 0.53
SLC6A2 P23975 12/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
SLC22A1 O15245 3/20 0.53
CHRM2 P08172 1/20 0.53
CHRM1 P11229 1/20 0.53

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
SCHEMBL7025936 0.87 SLC6A4 (0.62) OPRM1OPRD1OPRK1SLC6A4SLC6A2
SCHEMBL7023195 0.85 OPRM1 (0.45) OPRM1OPRD1OPRK1SLC6A4SLC6A2
SCHEMBL7019410 0.78 SLC6A2 (0.62) OPRM1OPRD1OPRK1SLC6A4SLC6A2
(R,R)-Tramadol SCHEMBL2678627 0.77 SLC6A2 (0.82) OPRM1OPRD1OPRK1SLC6A4SLC6A2
SCHEMBL5509157 0.76 OPRM1 (0.81) OPRM1OPRD1OPRK1SLC6A4SLC6A2
Tramadol SCHEMBL4799725 0.74 SLC6A2 (0.76) OPRM1OPRD1OPRK1SLC6A4SLC6A2
(R,R)-Tramadol SCHEMBL2678948 0.74 SLC6A2 (0.76) OPRM1OPRD1OPRK1SLC6A4SLC6A2
(R,R)-Tramadol SCHEMBL18171987 0.73 SLC6A2 (0.71) OPRM1OPRD1OPRK1SLC6A4SLC6A2
SCHEMBL7025932 0.73 SLC6A4 (0.51) OPRM1OPRD1OPRK1SLC6A4SLC6A2
(R,R)-Tramadol SCHEMBL2678195 0.72 SLC6A2 (0.89) OPRM1OPRD1OPRK1SLC6A4SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1127871-B1 NEW ESTERS DERIVED FROM SUBSTITUTED PHENYL-CYCLOHEXYL COMPOUNDS VITA LAB (ES) 2003-09-10 EP claimed