SCHEMBL5330870

SCHEMBL5330870

CN(C)CCSc1cn(S(=O)(=O)c2ccccc2Br)c2ccccc12

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 19/20 0.52
HTR7 P34969 2/20 0.49
HTR1A P08908 1/20 0.45
DRD2 P14416 1/20 0.45
HTR1D P28221 1/20 0.45
HTR1B P28222 1/20 0.45
HTR1F P30939 1/20 0.45
DRD3 P35462 1/20 0.45

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
SCHEMBL5325258 0.89 HTR6 (0.53) HTR6HTR7
SCHEMBL5328089 0.87 HTR6 (0.54) HTR6HTR7
SCHEMBL5328664 0.87 HTR6 (0.54) HTR6HTR7
SCHEMBL5410856 0.86 HTR6 (0.55) HTR6HTR7HTR1ADRD2HTR1D
SCHEMBL5336519 0.83 HTR6 (0.64) HTR6HTR7HTR1ADRD2HTR1D
SCHEMBL5330259 0.81 HTR6 (0.66) HTR6HTR7HTR1ADRD2HTR1D
SCHEMBL3587283 0.80 HTR6 (0.72) HTR6HTR7HTR1ADRD2HTR1D
SCHEMBL5330256 0.80 HTR6 (0.53) HTR6HTR7HTR1ADRD2HTR1D
SCHEMBL5330866 0.78 HTR6 (0.50) HTR6
SCHEMBL5330300 0.78 HTR6 (0.53) HTR6HTR7HTR1ADRD2HTR1D

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-2007020653-A1 THIOETHER DERIVATIVES AS FUNCTIONAL 5-HT6 LIGANDS SUVEN LIFE SCIENCES LIMITED (IN) 2007-02-22 WO disclosed