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SCHEMBL5334644

SCHEMBL5334644

[CH2]C[S+]([O-])c1cn(S(=O)(=O)c2ccc(C(C)C)cc2)c2ccc(Br)cc12

nearest known ligand 0.59

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 19/20 0.59
▸ CYP3A4 P08684 4/20 0.44
▸ CYP2D6 P10635 4/20 0.44
▸ HTR2A P28223 1/20 0.41
▸ KLK7 P49862 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
SCHEMBL5479043 0.87 HTR6 (0.54) HTR6CYP3A4CYP2D6HTR2AKLK7
SCHEMBL5328799 0.86 HTR6 (0.56) HTR6CYP3A4CYP2D6KLK7
SCHEMBL5327454 0.85 HTR6 (0.58) HTR6CYP3A4CYP2D6HTR2A
SCHEMBL5304701 0.85 HTR6 (0.49) HTR6CYP3A4CYP2D6
SCHEMBL5331085 0.84 HTR6 (0.50) HTR6CYP3A4CYP2D6KLK7
SCHEMBL5332274 0.78 HTR6 (0.55) HTR6CYP3A4CYP2D6HTR2A
SCHEMBL947232 0.78 HTR6 (0.69) HTR6CYP3A4CYP2D6HTR2AKLK7
SCHEMBL948145 0.78 HTR6 (0.69) HTR6CYP3A4CYP2D6HTR2A
SCHEMBL4776299 0.77 HTR6 (0.62) HTR6CYP3A4CYP2D6HTR2AKLK7
SCHEMBL5331844 0.76 HTR6 (0.56) HTR6CYP3A4CYP2D6

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