SCHEMBL4650016

SCHEMBL4650016

O=S(=O)(c1ccccc1)c1cnc2ccc(OC3CCNC3)cc2c1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PRKCZ Q05513 6/20 0.49
ROCK1 Q13464 6/20 0.44
ROCK2 O75116 1/20 0.42
KCNH2 Q12809 1/20 0.42
CHRNB2 P17787 1/20 0.42
CHRNA4 P43681 1/20 0.42
MET P08581 1/20 0.42
HTR1A P08908 1/20 0.41
DRD2 P14416 1/20 0.41
HTR2A P28223 1/20 0.41
HTR7 P34969 1/20 0.41
HTR6 P50406 1/20 0.41

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
SCHEMBL4650913 0.94 ROCK1 (0.51) PRKCZROCK1ROCK2KCNH2CHRNB2
SCHEMBL4649415 0.94 ROCK1 (0.46) PRKCZROCK1ROCK2HTR1ADRD2
SCHEMBL4650745 0.81 HTR6 (0.47) METHTR2AHTR6
SCHEMBL4650101 0.80 HTR6 (0.44) HTR2AHTR6
SCHEMBL4650006 0.80 HTR6 (0.44) HTR2AHTR6
SCHEMBL4649524 0.79 HTR1A (0.53) PRKCZCHRNB2CHRNA4HTR1ADRD2
SCHEMBL4649903 0.79 HTR1A (0.53) PRKCZCHRNB2CHRNA4HTR1ADRD2
SCHEMBL4649526 0.79 HTR1A (0.53) PRKCZCHRNB2CHRNA4HTR1ADRD2
SCHEMBL4649412 0.78 CHRM2 (0.45) ROCK1ROCK2KCNH2HTR2AHTR6
SCHEMBL2450284 0.77 HTR6 (0.47) HTR1ADRD2HTR2AHTR7HTR6

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