SCHEMBL5331545

SCHEMBL5331545

Cc1ccc(S(=O)(=O)n2c(C)c(SCCN(C)C)c3ccccc32)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 8/20 0.51
AGTR1 P30556 3/20 0.46
PCSK9 Q8NBP7 3/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
PSEN1 P49768 1/20 0.42
PSEN2 P49810 1/20 0.42
APH1B Q8WW43 1/20 0.42
NCSTN Q92542 1/20 0.42
APH1A Q96BI3 1/20 0.42
PSENEN Q9NZ42 1/20 0.42
ALDH1A1 P00352 2/20 0.41
ALDH3A1 P30838 1/20 0.41
GAA P10253 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HTR1A P08908 1/20 0.40
DRD2 P14416 1/20 0.40
HTR1D P28221 1/20 0.40
HTR1B P28222 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
SCHEMBL5336640 0.91 HTR6 (0.50) HTR6HDAC1HDAC2HDAC6ALDH3A1
SCHEMBL5327669 0.91 HTR6 (0.45) HTR6HDAC1HDAC2HDAC6HTR1A
SCHEMBL5326312 0.89 NOD1 (0.42) HTR6PCSK9HDAC1HDAC2HDAC6
SCHEMBL5331879 0.89 HTR6 (0.55) HTR6HDAC1HDAC2HDAC6PSEN1
SCHEMBL5327666 0.87 HTR6 (0.48) HTR6HDAC1HDAC2HDAC6ALDH1A1
SCHEMBL5328966 0.84 PTGDR2 (0.55) HTR6
SCHEMBL5330206 0.84 HTR6 (0.48) HTR6PSEN1PSEN2APH1BNCSTN
SCHEMBL5329816 0.84 HTR6 (0.41) HTR6
SCHEMBL5325199 0.84 HTR6 (0.51) HTR6
SCHEMBL5332004 0.83 HTR6 (0.58) HTR6HTR1ADRD2HTR1DHTR1B

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