SCHEMBL5328664

SCHEMBL5328664

CN(C)CCSc1cn(S(=O)(=O)c2ccccc2Br)c2ccc(F)cc12

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 17/20 0.54
HTR7 P34969 1/20 0.43
KLK7 P49862 1/20 0.40
CYP3A4 P08684 1/20 0.40
ADRA2A P08913 1/20 0.40
CYP2D6 P10635 1/20 0.40
ADRA2C P18825 1/20 0.40
HTR2A P28223 1/20 0.40
CYP2C19 P33261 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
SCHEMBL5325258 0.90 HTR6 (0.53) HTR6HTR7KLK7CYP3A4ADRA2A
SCHEMBL5328089 0.88 HTR6 (0.54) HTR6HTR7KLK7
SCHEMBL5330870 0.87 HTR6 (0.52) HTR6HTR7
SCHEMBL5410856 0.86 HTR6 (0.55) HTR6HTR7CYP3A4ADRA2ACYP2D6
SCHEMBL5330103 0.84 HTR6 (0.52) HTR6HTR7CYP3A4CYP2D6
SCHEMBL5334193 0.83 HTR6 (0.47) HTR6HTR7CYP3A4CYP2D6
SCHEMBL3592630 0.82 HTR6 (0.64) HTR6HTR7
SCHEMBL5328661 0.81 HTR6 (0.52) HTR6KLK7CYP3A4ADRA2ACYP2D6
SCHEMBL5331276 0.80 HTR6 (0.53) HTR6HTR7KLK7CYP3A4CYP2D6
SCHEMBL5327724 0.78 HTR6 (0.53) HTR6CYP3A4CYP2D6HTR2A

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