SCHEMBL19980871

SCHEMBL19980871

COc1ccc([C@@]2(O)CCCC[C@@H]2CN(C)C)cc1Br

nearest known ligand 0.65

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 16/20 0.65
SLC6A4 P31645 16/20 0.65
OPRM1 P35372 13/20 0.65
OPRD1 P41143 3/20 0.65
OPRK1 P41145 3/20 0.65
SLC22A1 O15245 3/20 0.65
MEN1 O00255 2/20 0.65
KMT2A Q03164 2/20 0.65
CHRM2 P08172 1/20 0.65
CHRM1 P11229 1/20 0.65

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
SCHEMBL12020028 0.89 SLC6A2 (0.69) SLC6A2SLC6A4OPRM1OPRD1OPRK1
SCHEMBL6940635 0.81 SLC6A4 (0.61) SLC6A2SLC6A4OPRM1OPRD1OPRK1
(R,R)-Tramadol SCHEMBL12831358 0.79 SLC6A2 (1.00) SLC6A2SLC6A4OPRM1OPRD1OPRK1
(R,R)-Tramadol SCHEMBL57495 0.79 SLC6A2 (1.00) SLC6A2SLC6A4OPRM1OPRD1OPRK1
(R,R)-Tramadol SCHEMBL5318670 0.79 SLC6A2 (1.00) SLC6A2SLC6A4OPRM1OPRD1OPRK1
(R,R)-Tramadol SCHEMBL11984200 0.79 SLC6A2 (1.00) SLC6A2SLC6A4OPRM1OPRD1OPRK1
(R,R)-Tramadol SCHEMBL1593740 0.79 SLC6A2 (1.00) SLC6A2SLC6A4OPRM1OPRD1OPRK1
(R,R)-Tramadol SCHEMBL3265792 0.79 SLC6A2 (1.00) SLC6A2SLC6A4OPRM1OPRD1OPRK1
(R,R)-Tramadol SCHEMBL730723 0.79 SLC6A2 (1.00) SLC6A2SLC6A4OPRM1OPRD1OPRK1
(R,R)-Tramadol SCHEMBL7464 0.79 SLC6A2 (1.00) SLC6A2SLC6A4OPRM1OPRD1OPRK1

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-3296289-A2 PHENYL SUBSTITUTED CYCLOALKYLAMINES AS MONOAMINE REUPTAKE INHIBITORS Sunovion Pharmaceuticals Inc. (US) 2018-03-21 EP disclosed