SCHEMBL5440583

SCHEMBL5440583

Cc1ccc(S(=O)(=O)n2cc(N3CCN(C)CC3)c3ccc(Cl)cc32)cc1

nearest known ligand 0.80

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 19/20 0.80
CYP3A4 P08684 3/20 0.58
CYP2D6 P10635 3/20 0.58
KDM4E B2RXH2 1/20 0.51
ALDH1A1 P00352 1/20 0.51
HTT P42858 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51

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
SCHEMBL5360087 0.90 HTR6 (0.78) HTR6CYP3A4CYP2D6
SCHEMBL5374506 0.90 HTR6 (0.78) HTR6CYP3A4CYP2D6
SCHEMBL5448011 0.89 HTR6 (1.00) HTR6CYP3A4CYP2D6
SCHEMBL5372081 0.88 HTR6 (0.80) HTR6KDM4EALDH1A1HTTNPSR1
SCHEMBL5379591 0.88 HTR6 (0.80) HTR6CYP3A4CYP2D6
SCHEMBL5475378 0.81 HTR6 (0.68) HTR6CYP3A4CYP2D6
SCHEMBL5361658 0.79 HTR6 (1.00) HTR6CYP3A4CYP2D6
SCHEMBL5363505 0.79 HTR6 (0.83) HTR6CYP3A4CYP2D6
SCHEMBL5375838 0.78 HTR6 (0.78) HTR6CYP3A4CYP2D6
SCHEMBL5443199 0.78 HTR6 (0.85) HTR6CYP3A4CYP2D6

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-2007138611-A1 3-(HETEROCYCLYL)-N-(ARYLSULFONYL)INDOLE DERIVATIVES AS FUNCTIONAL 5-HT6 LIGANDS SUVEN LIFE SCIENCES LIMITED (IN) 2007-12-06 WO disclosed