SCHEMBL5477723

SCHEMBL5477723

CN(C)CC[S+]([O-])c1cn(S(=O)(=O)c2ccccc2Br)c2ccc(Br)cc12

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 19/20 0.52
▸ KLK7 P49862 1/20 0.41
▸ CYP3A4 P08684 1/20 0.40
▸ ADRA2A P08913 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ ADRA2C P18825 1/20 0.40
▸ HTR2A P28223 1/20 0.40
▸ CYP2C19 P33261 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
SCHEMBL5331964 0.91 HTR6 (0.50) HTR6
SCHEMBL5431957 0.89 HTR6 (0.54) HTR6CYP3A4ADRA2ACYP2D6ADRA2C
SCHEMBL5332274 0.85 HTR6 (0.55) HTR6CYP3A4ADRA2ACYP2D6ADRA2C
SCHEMBL5467982 0.82 HTR6 (0.53) HTR6KLK7CYP3A4CYP2D6
SCHEMBL3601701 0.81 HTR6 (0.68) HTR6
SCHEMBL5465599 0.81 HTR6 (0.58) HTR6
SCHEMBL5479043 0.81 HTR6 (0.54) HTR6KLK7CYP3A4CYP2D6HTR2A
SCHEMBL3562367 0.78 HTR6 (0.53) HTR6KLK7CYP3A4ADRA2ACYP2D6
SCHEMBL948738 0.78 HTR6 (0.62) HTR6CYP3A4ADRA2ACYP2D6ADRA2C
SCHEMBL5325258 0.78 HTR6 (0.53) HTR6KLK7CYP3A4ADRA2ACYP2D6

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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