SCHEMBL5331491

SCHEMBL5331491

Cc1c(SC(C)N(C)C)c2cc(F)ccc2n1S(=O)(=O)c1ccc(C(C)C)cc1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 9/20 0.52
PTGDR2 Q9Y5Y4 7/20 0.46
PTGDR Q13258 4/20 0.45
LMNA P02545 1/20 0.42
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
PER2 O15055 1/20 0.38
CRY1 Q16526 1/20 0.38
CRY2 Q49AN0 1/20 0.38

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
SCHEMBL5407866 0.94 PTGDR2 (0.52) HTR6PTGDR2PTGDRLMNA
SCHEMBL5328962 0.92 PTGDR2 (0.53) HTR6PTGDR2PTGDRLMNA
SCHEMBL5328556 0.91 HTR6 (0.50) HTR6PTGDR2PTGDRLMNA
SCHEMBL5329965 0.89 PTGDR2 (0.54) HTR6PTGDR2PTGDRLMNA
SCHEMBL5332078 0.88 HTR6 (0.53) HTR6LMNA
SCHEMBL5425727 0.88 PTGDR2 (0.56) HTR6PTGDR2PTGDRLMNA
SCHEMBL5326882 0.87 HTR6 (0.42) HTR6PTGDR2PTGDRLMNA
SCHEMBL5331426 0.87 HTR6 (0.43) HTR6PTGDR2PTGDR
SCHEMBL5420513 0.86 PTGDR2 (0.44) HTR6PTGDR2PTGDRLMNACYP3A4
SCHEMBL5327797 0.86 HTR6 (0.49) HTR6PTGDR2PTGDRCYP3A4CYP2D6

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