SCHEMBL5367378

SCHEMBL5367378

CCN1CCN(c2cn(S(=O)(=O)c3cc(OC)ccc3OC)c3ccc(Br)cc23)CC1

nearest known ligand 0.71

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 18/20 0.71
USP2 O75604 1/20 0.49
ALDH1A1 P00352 1/20 0.49
LMNA P02545 1/20 0.49
HTT P42858 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
KMT2A Q03164 1/20 0.47

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
SCHEMBL5356119 0.93 HTR6 (0.78) HTR6USP2ALDH1A1LMNAHTT
SCHEMBL5366229 0.83 HTR6 (1.00) HTR6USP2ALDH1A1LMNAHTT
SCHEMBL5369827 0.81 HTR6 (0.81) HTR6CYP3A4CYP2D6
SCHEMBL5444888 0.78 HTR6 (0.76) HTR6CYP3A4CYP2D6
SCHEMBL5361093 0.78 HTR6 (0.68) HTR6CYP3A4CYP2D6
SCHEMBL5359580 0.77 HTR6 (0.83) HTR6CYP3A4CYP2D6
SCHEMBL5356214 0.77 HTR6 (0.75) HTR6CYP3A4CYP2D6
SCHEMBL5361105 0.77 HTR6 (1.00) HTR6CYP3A4CYP2D6
SCHEMBL5354772 0.75 HTR6 (1.00) HTR6CYP3A4CYP2D6
SCHEMBL5358289 0.75 HTR6 (0.66) 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 2 patents. 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 claimed
WO-2007138611-A1 3-(HETEROCYCLYL)-N-(ARYLSULFONYL)INDOLE DERIVATIVES AS FUNCTIONAL 5-HT6 LIGANDS SUVEN LIFE SCIENCES LIMITED (IN) 2007-12-06 WO disclosed