SCHEMBL4650101

SCHEMBL4650101

CN1CC[C@H](Oc2ccc3ncc(S(=O)(=O)c4ccccc4)cc3c2)C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 4/20 0.44
CHRM2 P08172 1/20 0.43
CHRM4 P08173 1/20 0.43
CHRM5 P08912 1/20 0.43
CHRM1 P11229 1/20 0.43
CHRM3 P20309 1/20 0.43
USP2 O75604 1/20 0.42
USP1 O94782 1/20 0.42
USP8 P40818 1/20 0.42
OTUB1 Q96FW1 1/20 0.42
CES2 O00748 1/20 0.42
MCHR1 Q99705 1/20 0.41
PDE3B Q13370 2/20 0.40
PDE3A Q14432 2/20 0.40
PDE10A Q9Y233 2/20 0.40
CHEK2 O96017 1/20 0.40
INSR P06213 1/20 0.40
IGF1R P08069 1/20 0.40
ALK Q9UM73 1/20 0.40
HTR2A P28223 1/20 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
SCHEMBL4650006 1.00 HTR6 (0.44) HTR6CHRM2CHRM4CHRM5CHRM1
SCHEMBL4649412 0.95 CHRM2 (0.45) HTR6CHRM2CHRM4CHRM5CHRM1
SCHEMBL4650745 0.95 HTR6 (0.47) HTR6CHRM2CHRM4CHRM5CHRM1
SCHEMBL4649415 0.82 ROCK1 (0.46) HTR6CHEK2HTR2AHTR2B
SCHEMBL4649974 0.80 CHRM2 (0.43) HTR6CHRM2CHRM4CHRM5CHRM1
SCHEMBL4649235 0.80 CHRM2 (0.43) HTR6CHRM2CHRM4CHRM5CHRM1
SCHEMBL4650016 0.80 PRKCZ (0.49) HTR6HTR2A
SCHEMBL4650003 0.79 HTR6 (0.51) HTR6CHRM2CHRM4CHRM5CHRM1
SCHEMBL4756585 0.79 HTR6 (0.51) HTR6CHRM2CHRM4CHRM5CHRM1
SCHEMBL4649908 0.79 HTR6 (0.51) HTR6CHRM2CHRM4CHRM5CHRM1

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-1730112-B1 3-((HETERO)ARYLSULFONYL)-8'[ (AMINOALKYL)OXY]QUINOLINES AS 5-HT6 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF CNS DISORDERS GLAXO GROUP LTD (GB) 2008-09-03 EP claimed