SCHEMBL5375838

SCHEMBL5375838

CCN1CCN(c2cn(S(=O)(=O)c3ccc(Br)cc3)c3cc(Cl)ccc23)CC1

nearest known ligand 0.78

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 20/20 0.78
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50

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
SCHEMBL5372081 0.91 HTR6 (0.80) HTR6
SCHEMBL5443199 0.90 HTR6 (0.85) HTR6CYP3A4CYP2D6
SCHEMBL5352976 0.89 HTR6 (0.80) HTR6
SCHEMBL5362252 0.89 HTR6 (0.85) HTR6CYP3A4CYP2D6
SCHEMBL5360087 0.88 HTR6 (0.78) HTR6CYP3A4CYP2D6
SCHEMBL5412647 0.87 HTR6 (0.84) HTR6
SCHEMBL5356699 0.84 HTR6 (0.85) HTR6
SCHEMBL5363505 0.82 HTR6 (0.83) HTR6CYP3A4CYP2D6
SCHEMBL5452599 0.81 HTR6 (1.00) HTR6CYP3A4CYP2D6
SCHEMBL5354784 0.80 HTR6 (1.00) 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