SCHEMBL5364941

SCHEMBL5364941

CCOc1ccc2c(c1)c(SCCN(C)C)c(C)n2S(=O)(=O)c1ccc(C(C)C)cc1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 13/20 0.44
MAPT P10636 1/20 0.41
CASR P41180 1/20 0.39
LMNA P02545 2/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HPGD P15428 1/20 0.36
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
HTR2A P28223 1/20 0.35
KMT2A Q03164 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
SCHEMBL5327800 0.91 HTR6 (0.55) HTR6CYP3A4CYP2D6HTR2A
SCHEMBL5330693 0.90 HTR6 (0.53) HTR6MAPT
SCHEMBL5364940 0.85 MAPT (0.42) HTR6MAPTCASRLMNAMAPK1
SCHEMBL5332081 0.85 HTR6 (0.50) HTR6
SCHEMBL5331494 0.85 HTR6 (0.50) HTR6LMNACYP3A4CYP2D6
SCHEMBL5331429 0.84 HTR6 (0.42) HTR6
SCHEMBL5326312 0.83 NOD1 (0.42) HTR6CYP3A4CYP2D6
SCHEMBL5332899 0.83 HTR6 (0.60) HTR6
SCHEMBL5326887 0.83 HTR6 (0.40) HTR6CYP3A4CYP2D6
SCHEMBL5332004 0.81 HTR6 (0.58) HTR6

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