SCHEMBL13345103

SCHEMBL13345103

OCCC1(c2ccc(Cl)c(F)c2)CCCNC1

nearest known ligand 0.79

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 17/20 0.79
SLC6A3 Q01959 17/20 0.79
SLC6A2 P23975 12/20 0.79
CYP2D6 P10635 1/20 0.73
PRKAB2 O43741 1/20 0.37
PRKAG1 P54619 1/20 0.37
PRKAA2 P54646 1/20 0.37
PRKAA1 Q13131 1/20 0.37
PRKAG3 Q9UGI9 1/20 0.37
PRKAG2 Q9UGJ0 1/20 0.37
PRKAB1 Q9Y478 1/20 0.37

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
SCHEMBL3466107 0.90 SLC6A4 (0.79) SLC6A4SLC6A3SLC6A2CYP2D6
SCHEMBL1981732 0.88 SLC6A4 (1.00) SLC6A4SLC6A3SLC6A2CYP2D6
SCHEMBL1981733 0.88 SLC6A4 (1.00) SLC6A4SLC6A3SLC6A2CYP2D6
SCHEMBL3466313 0.88 SLC6A4 (1.00) SLC6A4SLC6A3SLC6A2CYP2D6
SCHEMBL9028214 0.88 SLC6A4 (0.67) SLC6A4SLC6A3SLC6A2CYP2D6
SCHEMBL8458076 0.84 SLC6A4 (1.00) SLC6A4SLC6A3SLC6A2CYP2D6
SCHEMBL9026645 0.84 SLC6A4 (0.68) SLC6A4SLC6A3SLC6A2CYP2D6
SCHEMBL1986784 0.81 SLC6A4 (0.72) SLC6A4SLC6A3SLC6A2CYP2D6
SCHEMBL1986782 0.81 SLC6A4 (0.72) SLC6A4SLC6A3SLC6A2CYP2D6
SCHEMBL3466791 0.81 SLC6A4 (0.85) SLC6A4SLC6A3SLC6A2CYP2D6

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-2010071575-A1 QUATERNARY PIPERIDINE DERIVATIVES AND USES THEREOF ASTRAZENECA AB (SE) 2010-06-24 WO disclosed