SCHEMBL5364940

SCHEMBL5364940

CCOc1ccc2c(c1)c(SC(C)N(C)C)c(C)n2S(=O)(=O)c1ccc(C(C)C)cc1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.42
HTR6 P50406 8/20 0.41
CASR P41180 1/20 0.40
LMNA P02545 2/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PTGDR2 Q9Y5Y4 5/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
HTR2A P28223 1/20 0.36
KMT2A Q03164 1/20 0.36
PTGDR Q13258 1/20 0.35

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
SCHEMBL5330691 0.91 HTR6 (0.46) MAPTHTR6LMNAMAPK1HTT
SCHEMBL5327797 0.89 HTR6 (0.49) HTR6PTGDR2CYP3A4CYP2D6HTR2A
SCHEMBL5364941 0.85 HTR6 (0.44) MAPTHTR6CASRLMNAMAPK1
SCHEMBL5332078 0.84 HTR6 (0.53) HTR6LMNA
SCHEMBL5331491 0.83 HTR6 (0.52) HTR6LMNAPTGDR2CYP3A4CYP2D6
SCHEMBL5332897 0.83 HTR6 (0.51) HTR6LMNAHTTPTGDR2PTGDR
SCHEMBL5331426 0.82 HTR6 (0.43) MAPTHTR6PTGDR2PTGDR
SCHEMBL5331999 0.81 HTR6 (0.51) MAPTHTR6PTGDR2PTGDR
SCHEMBL5326882 0.81 HTR6 (0.42) MAPTHTR6LMNAHTTSMN1; SMN2
SCHEMBL5326308 0.81 NOD1 (0.45) HTR6LMNAHTTCYP3A4CYP2D6

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