SCHEMBL5329968

SCHEMBL5329968

Cc1c(SCCN(C)C)c2cc(F)ccc2n1S(=O)(=O)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 8/20 0.56
PTGDR Q13258 4/20 0.56
HTR6 P50406 10/20 0.50
HTR1A P08908 1/20 0.40
DRD2 P14416 1/20 0.40
HTR1D P28221 1/20 0.40
HTR1B P28222 1/20 0.40
HTR1F P30939 1/20 0.40
HTR7 P34969 1/20 0.40
DRD3 P35462 1/20 0.40
LMNA P02545 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
SCHEMBL5407869 0.94 PTGDR2 (0.54) PTGDR2PTGDRHTR6LMNA
SCHEMBL5328966 0.92 PTGDR2 (0.55) PTGDR2PTGDRHTR6LMNA
SCHEMBL5328560 0.90 HTR6 (0.48) PTGDR2PTGDRHTR6LMNA
SCHEMBL5425733 0.88 PTGDR2 (0.58) PTGDR2PTGDRHTR6
SCHEMBL5331494 0.88 HTR6 (0.50) PTGDR2PTGDRHTR6LMNA
SCHEMBL5325375 0.87 HTR6 (0.50) PTGDR2PTGDRHTR6HTR1ADRD2
SCHEMBL5336640 0.87 HTR6 (0.50) PTGDR2PTGDRHTR6HTR1ADRD2
SCHEMBL5328058 0.86 HTR6 (0.49) PTGDR2PTGDRHTR6HTR1ADRD2
SCHEMBL5420518 0.85 PTGDR2 (0.45) PTGDR2PTGDRHTR6
SCHEMBL5402340 0.85 PTGDR2 (0.40) PTGDR2PTGDRHTR6

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