SCHEMBL5328089

SCHEMBL5328089

CN(C)CCSc1cn(S(=O)(=O)c2ccccc2Br)c2ccc(Cl)cc12

nearest known ligand 0.55

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 15/20 0.54
▸ HTR7 P34969 1/20 0.43
▸ ACLY P53396 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
SCHEMBL5325258 0.90 HTR6 (0.53) HTR6HTR7KLK7
SCHEMBL5328664 0.88 HTR6 (0.54) HTR6HTR7KLK7
SCHEMBL5330870 0.87 HTR6 (0.52) HTR6HTR7
SCHEMBL5410856 0.86 HTR6 (0.55) HTR6HTR7
SCHEMBL3595920 0.82 HTR6 (0.63) HTR6HTR7
SCHEMBL5328085 0.81 HTR6 (0.52) HTR6ACLYKLK7
SCHEMBL3560031 0.80 HTR6 (0.54) HTR6HTR7ACLY
SCHEMBL5330692 0.79 HTR6 (0.53) HTR6
SCHEMBL5414728 0.78 HTR6 (0.62) HTR6HTR7
SCHEMBL5327034 0.78 HTR6 (0.49) HTR6HTR7

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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