SCHEMBL16449042

SCHEMBL16449042

COCC1CCN(C(c2ccccc2)c2ccccc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL3 Q96JM7 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
OPRM1 P35372 5/20 0.50
CYP2D6 P10635 2/20 0.50
CHRM2 P08172 1/20 0.50
CHRM4 P08173 1/20 0.50
CHRM5 P08912 1/20 0.50
ADRA2A P08913 1/20 0.50
ADORA3 P0DMS8 1/20 0.50
CHRM1 P11229 1/20 0.50
CHRM3 P20309 1/20 0.50
DRD1 P21728 1/20 0.50
ADRA1D P25100 1/20 0.50
HTR2A P28223 1/20 0.50
HTR2C P28335 1/20 0.50
HRH1 P35367 1/20 0.50
DRD3 P35462 1/20 0.50
HTR2B P41595 1/20 0.50
SLC6A3 Q01959 1/20 0.50
KCNH2 Q12809 1/20 0.50

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
SCHEMBL29304439 0.84 L3MBTL3 (0.51) L3MBTL3L3MBTL1OPRM1CYP2D6CHRM2
SCHEMBL85215 0.83 OPRM1 (0.44) OPRM1CYP2D6CHRM2CHRM4CHRM5
SCHEMBL16448466 0.83 L3MBTL3 (0.48) L3MBTL3L3MBTL1OPRM1CYP2D6CHRM2
SCHEMBL13597028 0.82 OPRM1 (0.51) L3MBTL3L3MBTL1OPRM1CYP2D6CHRM2
SCHEMBL13597004 0.81 L3MBTL1 (0.56) L3MBTL3L3MBTL1OPRM1CYP2D6CHRM2
SCHEMBL13597009 0.79 DPP4 (0.55) L3MBTL3L3MBTL1OPRM1CYP2D6CHRM2
SCHEMBL29913750 0.79 L3MBTL3 (0.53) L3MBTL3L3MBTL1OPRM1CYP2D6CHRM2
SCHEMBL3458578 0.78 L3MBTL3 (0.56) L3MBTL3L3MBTL1OPRM1CYP2D6CHRM2
SCHEMBL8473371 0.78 L3MBTL3 (0.56) L3MBTL3L3MBTL1OPRM1CYP2D6CHRM2
SCHEMBL8472991 0.78 L3MBTL3 (0.56) L3MBTL3L3MBTL1OPRM1CYP2D6CHRM2

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
US-8952169-B2 N-substituted benzamides and methods of use thereof XENON PHARMACEUTICALS INC. (CA) 2015-02-10 US disclosed