SCHEMBL5364773

SCHEMBL5364773

COc1ccc2c(c1)c(N1CCN(C)CC1)cn2S(=O)(=O)c1ccc(F)cc1

nearest known ligand 0.74

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 20/20 0.74
CYP3A4 P08684 5/20 0.74
CYP2D6 P10635 5/20 0.74
HTR2A P28223 1/20 0.55

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
SCHEMBL5356214 0.89 HTR6 (0.75) HTR6CYP3A4CYP2D6
SCHEMBL29646284 0.82 HTR6 (1.00) HTR6CYP3A4CYP2D6HTR2A
SCHEMBL949684 0.82 HTR6 (1.00) HTR6CYP3A4CYP2D6HTR2A
SCHEMBL5353003 0.82 HTR6 (1.00) HTR6CYP3A4CYP2D6HTR2A
Hydrochloric Acid SCHEMBL19629781 0.82 HTR6 (0.98) HTR6CYP3A4CYP2D6HTR2A
Hydrochloric Acid SCHEMBL29646259 0.82 HTR6 (0.98) HTR6CYP3A4CYP2D6HTR2A
SCHEMBL5359716 0.79 HTR6 (0.77) HTR6CYP3A4CYP2D6HTR2A
SCHEMBL5361093 0.79 HTR6 (0.68) HTR6CYP3A4CYP2D6HTR2A
SCHEMBL5379591 0.79 HTR6 (0.80) HTR6CYP3A4CYP2D6
SCHEMBL5374506 0.78 HTR6 (0.78) 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