SCHEMBL5327797

SCHEMBL5327797

COc1ccc2c(c1)c(SC(C)N(C)C)c(C)n2S(=O)(=O)c1ccc(C(C)C)cc1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 18/20 0.49
CYP3A4 P08684 3/20 0.44
CYP2D6 P10635 3/20 0.44
HTR2A P28223 1/20 0.44
PTGDR Q13258 1/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.41
PTGS1 P23219 1/20 0.39
PTGS2 P35354 1/20 0.39

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
SCHEMBL5332897 0.94 HTR6 (0.51) HTR6PTGDRPTGDR2
SCHEMBL5331999 0.92 HTR6 (0.51) HTR6PTGDRPTGDR2
SCHEMBL5331610 0.91 HTR6 (0.52) HTR6PTGDRPTGDR2
SCHEMBL5332685 0.90 HTR6 (0.51) HTR6CYP3A4CYP2D6PTGDRPTGDR2
SCHEMBL5364940 0.89 MAPT (0.42) HTR6CYP3A4CYP2D6HTR2APTGDR
SCHEMBL5327986 0.87 HTR6 (0.52) HTR6PTGDRPTGDR2
SCHEMBL5332078 0.87 HTR6 (0.53) HTR6
SCHEMBL5330691 0.86 HTR6 (0.46) HTR6PTGDRPTGDR2
SCHEMBL5425727 0.86 PTGDR2 (0.56) HTR6PTGDRPTGDR2
SCHEMBL5331491 0.86 HTR6 (0.52) HTR6CYP3A4CYP2D6PTGDRPTGDR2

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