SCHEMBL4394653

SCHEMBL4394653

CN(C)C[C@@]1(c2cccc(OCCCC(=O)O)c2)CCCC[C@@H]1O

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 14/20 0.56
SLC6A3 Q01959 11/20 0.56
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
SLC6A2 P23975 3/20 0.40
OPRM1 P35372 3/20 0.40
SLC22A1 O15245 2/20 0.40
CHRM2 P08172 1/20 0.40
CHRM1 P11229 1/20 0.40
OPRD1 P41143 1/20 0.40
OPRK1 P41145 1/20 0.40
PDE3B Q13370 2/20 0.40
PDE3A Q14432 2/20 0.40

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
SCHEMBL4391875 1.00 SLC6A4 (0.56) SLC6A4SLC6A3MEN1KMT2ASLC6A2
SCHEMBL4398580 0.95 SLC6A4 (0.57) SLC6A4SLC6A3MEN1KMT2ASLC6A2
SCHEMBL7531306 0.82 SLC6A4 (0.73) SLC6A4SLC6A3MEN1KMT2ASLC6A2
Dimethylamine SCHEMBL4391881 0.80 MEN1 (0.46) SLC6A4SLC6A3MEN1KMT2ASLC22A1
Dimethylamine SCHEMBL4398587 0.74 SLC22A1 (0.42) SLC6A4SLC6A3MEN1KMT2ASLC6A2
SCHEMBL3517244 0.72 SLC6A3 (1.00) SLC6A4SLC6A3SLC6A2
SCHEMBL3517909 0.72 SLC6A3 (1.00) SLC6A4SLC6A3SLC6A2
SCHEMBL3517911 0.72 SLC6A3 (1.00) SLC6A4SLC6A3SLC6A2
SCHEMBL3517239 0.72 SLC6A3 (1.00) SLC6A4SLC6A3SLC6A2
SCHEMBL3517241 0.72 SLC6A3 (1.00) SLC6A4SLC6A3SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1988398-B1 Immunoassay for tramadol and its major metabolites RANDOX LAB LTD (GB) 2009-12-16 EP claimed
EP-1988398-B1 Immunoassay for tramadol and its major metabolites RANDOX LAB LTD (GB) 2009-12-16 EP disclosed
EP-1988398-A1 Immunoassay for tramadol and its major metabolites Randox Laboratories Ltd. (GB) 2008-11-05 EP disclosed