SCHEMBL5336519

SCHEMBL5336519

CN(C)CCSc1cn(S(=O)(=O)c2ccccc2)c2ccccc12

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 18/20 0.64
HTR1A P08908 3/20 0.64
DRD2 P14416 3/20 0.64
HTR1D P28221 3/20 0.64
HTR1B P28222 3/20 0.64
HTR1F P30939 3/20 0.64
HTR7 P34969 3/20 0.64
DRD3 P35462 3/20 0.64
TNF P01375 1/20 0.51
HTR1E P28566 1/20 0.49
LMNA P02545 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49

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
SCHEMBL5330259 0.92 HTR6 (0.66) HTR6HTR1ADRD2HTR1DHTR1B
SCHEMBL5330256 0.91 HTR6 (0.53) HTR6HTR1ADRD2HTR1DHTR1B
SCHEMBL5331229 0.89 HTR6 (0.68) HTR6HTR1ADRD2HTR1DHTR1B
SCHEMBL5330300 0.89 HTR6 (0.53) HTR6HTR1ADRD2HTR1DHTR1B
SCHEMBL5333397 0.86 HTR6 (0.53) HTR6HTR1ADRD2HTR1DHTR1B
SCHEMBL5328031 0.84 HTR6 (0.69) HTR6HTR1ADRD2HTR1DHTR1B
SCHEMBL5330870 0.83 HTR6 (0.52) HTR6HTR1ADRD2HTR1DHTR1B
SCHEMBL5334193 0.79 HTR6 (0.47) HTR6HTR1ADRD2HTR1DHTR1B
SCHEMBL3322247 0.78 HTR6 (1.00) HTR6HTR1ADRD2HTR1DHTR1B
SCHEMBL5326101 0.77 HTR6 (0.68) HTR6HTR1ADRD2HTR1DHTR1B

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