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Sugi Predict / Compounds / SCHEMBL5327720

SCHEMBL5327720

SCHEMBL5327720

CC(C)c1ccc(S(=O)(=O)n2cc(SC(C)N(C)C)c3cc(F)ccc32)cc1

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 19/20 0.53
▸ CYP3A4 P08684 3/20 0.53
▸ CYP2D6 P10635 3/20 0.53
▸ HTR2A P28223 1/20 0.39
▸ PER2 O15055 1/20 0.39
▸ CRY1 Q16526 1/20 0.39
▸ CRY2 Q49AN0 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
SCHEMBL5334191 0.93 HTR6 (0.45) HTR6CYP3A4CYP2D6
SCHEMBL5330101 0.89 HTR6 (0.51) HTR6CYP3A4CYP2D6
SCHEMBL5330688 0.88 HTR6 (0.53) HTR6CYP3A4CYP2D6HTR2A
SCHEMBL5334694 0.88 HTR6 (0.48) HTR6CYP3A4CYP2D6
SCHEMBL5333235 0.87 HTR6 (0.57) HTR6CYP3A4CYP2D6HTR2A
SCHEMBL5327681 0.85 HTR6 (0.55) HTR6CYP3A4CYP2D6HTR2A
SCHEMBL5331272 0.85 HTR6 (0.53) HTR6CYP3A4CYP2D6
SCHEMBL5330295 0.84 HTR6 (0.54) HTR6CYP3A4CYP2D6
SCHEMBL5330297 0.83 HTR6 (0.52) HTR6CYP3A4CYP2D6HTR2A
SCHEMBL5327724 0.82 HTR6 (0.53) HTR6CYP3A4CYP2D6HTR2A

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