SCHEMBL5479043

SCHEMBL5479043

CC(C)c1ccc(S(=O)(=O)n2cc([S+]([O-])CCN(C)C)c3cc(Br)ccc32)cc1

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 19/20 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
SCHEMBL5467982 0.88 HTR6 (0.53) HTR6CYP3A4CYP2D6KLK7
SCHEMBL5408850 0.87 HTR6 (0.57) HTR6CYP3A4CYP2D6HTR2A
SCHEMBL5334644 0.87 HTR6 (0.59) HTR6CYP3A4CYP2D6KLK7HTR2A
SCHEMBL5327825 0.87 HTR6 (0.52) HTR6CYP3A4CYP2D6
SCHEMBL5465599 0.86 HTR6 (0.58) HTR6
SCHEMBL5477723 0.81 HTR6 (0.52) HTR6CYP3A4CYP2D6KLK7HTR2A
SCHEMBL5333236 0.80 HTR6 (0.54) HTR6CYP3A4CYP2D6KLK7HTR2A
SCHEMBL3555323 0.80 HTR6 (0.54) HTR6CYP3A4CYP2D6KLK7HTR2A
SCHEMBL5371262 0.78 HTR6 (0.67) HTR6
SCHEMBL948145 0.76 HTR6 (0.69) 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 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
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