SCHEMBL5366543

SCHEMBL5366543

CN1CCN(c2cn(S(=O)(=O)c3cccc(Cl)c3)c3ccccc23)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 20/20 1.00
CYP3A4 P08684 2/20 0.67
CYP2D6 P10635 2/20 0.67
HTR1A P08908 1/20 0.60
DRD2 P14416 1/20 0.60
HTR2A P28223 1/20 0.60

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
SCHEMBL5372556 0.87 HTR6 (1.00) HTR6CYP3A4CYP2D6
SCHEMBL6375028 0.83 HTR6 (0.70) HTR6CYP3A4CYP2D6
SCHEMBL5475378 0.81 HTR6 (0.68) HTR6CYP3A4CYP2D6HTR1ADRD2
SCHEMBL5353003 0.80 HTR6 (1.00) HTR6CYP3A4CYP2D6HTR1ADRD2
SCHEMBL5353316 0.79 HTR6 (0.76) HTR6
SCHEMBL5440583 0.77 HTR6 (0.80) HTR6CYP3A4CYP2D6
SCHEMBL3343288 0.77 HTR6 (0.62) HTR6CYP3A4CYP2D6HTR1ADRD2
SCHEMBL5360087 0.76 HTR6 (0.78) HTR6CYP3A4CYP2D6
SCHEMBL5374506 0.76 HTR6 (0.78) HTR6CYP3A4CYP2D6
SCHEMBL3337694 0.76 HTR6 (0.63) 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