SCHEMBL5331879

SCHEMBL5331879

COc1ccc(S(=O)(=O)n2c(C)c(SCCN(C)C)c3ccccc32)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 14/20 0.55
PTGDR2 Q9Y5Y4 2/20 0.42
PTGDR Q13258 1/20 0.42
CXCL8 P10145 1/20 0.42
NOD1 Q9Y239 1/20 0.42
HTR1A P08908 1/20 0.41
DRD2 P14416 1/20 0.41
HTR1D P28221 1/20 0.41
HTR1B P28222 1/20 0.41
HTR1E P28566 1/20 0.41
HTR1F P30939 1/20 0.41
HTR7 P34969 1/20 0.41
DRD3 P35462 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
PSEN1 P49768 1/20 0.39
PSEN2 P49810 1/20 0.39
APH1B Q8WW43 1/20 0.39
NCSTN Q92542 1/20 0.39

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
SCHEMBL5332899 0.89 HTR6 (0.60) HTR6PTGDR2PTGDRHTR1ADRD2
SCHEMBL5331545 0.89 HTR6 (0.51) HTR6HTR1ADRD2HTR1DHTR1B
SCHEMBL5327669 0.87 HTR6 (0.45) HTR6HTR1ADRD2HTR1DHTR1B
SCHEMBL5336640 0.87 HTR6 (0.50) HTR6PTGDR2PTGDRNOD1HTR1A
SCHEMBL5425733 0.86 PTGDR2 (0.58) HTR6PTGDR2PTGDR
SCHEMBL5327989 0.86 HTR6 (0.52) HTR6PTGDR2PTGDRHTR1ADRD2
SCHEMBL5332004 0.85 HTR6 (0.58) HTR6PTGDR2PTGDRHTR1ADRD2
SCHEMBL5327666 0.85 HTR6 (0.48) HTR6HDAC1HDAC2HDAC6
SCHEMBL5326312 0.85 NOD1 (0.42) HTR6NOD1HTR1ADRD2HTR1D
SCHEMBL5330693 0.85 HTR6 (0.53) HTR6PTGDR2PTGDRHTR1ADRD2

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