SCHEMBL15920337

SCHEMBL15920337

CCN(C)CC1CCCCC1(O)c1cccc(OC)c1

nearest known ligand 0.81

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 13/20 0.81
SLC6A4 P31645 13/20 0.81
OPRM1 P35372 12/20 0.81
OPRD1 P41143 4/20 0.81
SLC22A1 O15245 3/20 0.81
OPRK1 P41145 3/20 0.81
MEN1 O00255 2/20 0.81
KMT2A Q03164 2/20 0.81
CHRM2 P08172 1/20 0.81
CHRM1 P11229 1/20 0.81
HTR3A P46098 2/20 0.56
HTR4 Q13639 1/20 0.56

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
(R,R)-Tramadol SCHEMBL7464 0.90 SLC6A2 (1.00) SLC6A2SLC6A4OPRM1OPRD1SLC22A1
(R,R)-Tramadol SCHEMBL12831358 0.90 SLC6A2 (1.00) SLC6A2SLC6A4OPRM1OPRD1SLC22A1
(R,R)-Tramadol SCHEMBL6543836 0.90 SLC6A2 (1.00) SLC6A2SLC6A4OPRM1OPRD1SLC22A1
(R,R)-Tramadol SCHEMBL1593740 0.90 SLC6A2 (1.00) SLC6A2SLC6A4OPRM1OPRD1SLC22A1
(R,R)-Tramadol SCHEMBL11984200 0.90 SLC6A2 (1.00) SLC6A2SLC6A4OPRM1OPRD1SLC22A1
(R,R)-Tramadol SCHEMBL5318670 0.90 SLC6A2 (1.00) SLC6A2SLC6A4OPRM1OPRD1SLC22A1
(R,R)-Tramadol SCHEMBL3265792 0.90 SLC6A2 (1.00) SLC6A2SLC6A4OPRM1OPRD1SLC22A1
(R,R)-Tramadol SCHEMBL730723 0.90 SLC6A2 (1.00) SLC6A2SLC6A4OPRM1OPRD1SLC22A1
(R,R)-Tramadol SCHEMBL57495 0.90 SLC6A2 (1.00) SLC6A2SLC6A4OPRM1OPRD1SLC22A1
(R,R)-Tramadol SCHEMBL14579837 0.90 SLC6A2 (1.00) SLC6A2SLC6A4OPRM1OPRD1SLC22A1

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
WO-2014115098-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF NEUROLOGICAL DISEASES AND INFLAMMATION KANDULA MAHESH (IN) 2014-07-31 WO disclosed