SCHEMBL7025932

SCHEMBL7025932

CN(C)CC1CCCCC1(O)c1ccccc1-c1cccc(C(=O)O)c1O

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 15/20 0.51
SLC6A2 P23975 13/20 0.51
OPRM1 P35372 13/20 0.51
OPRD1 P41143 4/20 0.51
OPRK1 P41145 3/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
SLC22A1 O15245 2/20 0.46
CHRM2 P08172 1/20 0.46
CHRM1 P11229 1/20 0.46
HNF4A P41235 1/20 0.39

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
SCHEMBL7023195 0.86 OPRM1 (0.45) SLC6A4SLC6A2OPRM1OPRD1OPRK1
SCHEMBL7025936 0.83 SLC6A4 (0.62) SLC6A4SLC6A2OPRM1OPRD1OPRK1
SCHEMBL6869696 0.78 SLC6A4 (0.62) SLC6A4SLC6A2OPRM1OPRD1OPRK1
SCHEMBL27977639 0.78 OPRM1 (0.51) SLC6A4SLC6A2OPRM1OPRD1OPRK1
SCHEMBL6939731 0.74 SLC6A4 (0.56) SLC6A4SLC6A2OPRM1OPRD1OPRK1
SCHEMBL6941934 0.74 SLC6A4 (0.56) SLC6A4SLC6A2OPRM1OPRD1OPRK1
(R,R)-Tramadol SCHEMBL2678627 0.73 SLC6A2 (0.82) SLC6A4SLC6A2OPRM1OPRD1OPRK1
SCHEMBL150032 0.73 SLC6A4 (0.73) SLC6A4SLC6A2OPRM1OPRD1OPRK1
Tramadol SCHEMBL4799725 0.73 SLC6A2 (0.76) SLC6A4SLC6A2OPRM1OPRD1OPRK1
(R,R)-Tramadol SCHEMBL2678948 0.73 SLC6A2 (0.76) 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 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