SCHEMBL5333236

SCHEMBL5333236

CC(C)c1ccc(S(=O)(=O)n2cc(SCCN(C)C)c3cc(Br)ccc32)cc1

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 18/20 0.54
▸ CYP3A4 P08684 3/20 0.40
▸ CYP2D6 P10635 3/20 0.40
▸ KLK7 P49862 1/20 0.40
▸ HTR2A P28223 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
SCHEMBL5330692 0.89 HTR6 (0.53) HTR6CYP3A4CYP2D6HTR2A
SCHEMBL5327724 0.88 HTR6 (0.53) HTR6CYP3A4CYP2D6HTR2A
SCHEMBL5331276 0.88 HTR6 (0.53) HTR6CYP3A4CYP2D6KLK7
SCHEMBL5327686 0.86 HTR6 (0.58) HTR6CYP3A4CYP2D6HTR2A
SCHEMBL5414230 0.86 HTR6 (0.58) HTR6
SCHEMBL5330300 0.85 HTR6 (0.53) HTR6CYP3A4CYP2D6
SCHEMBL5330103 0.84 HTR6 (0.52) HTR6CYP3A4CYP2D6
SCHEMBL5333235 0.82 HTR6 (0.57) HTR6CYP3A4CYP2D6KLK7HTR2A
SCHEMBL5325858 0.82 HTR6 (0.60) HTR6
SCHEMBL3555323 0.80 HTR6 (0.54) HTR6CYP3A4CYP2D6KLK7HTR2A

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
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