SCHEMBL4630008

SCHEMBL4630008

CC(C)Oc1ccc2[nH]c(S(=O)(=O)c3cccc(NC4CCN(C)CC4)c3)cc2c1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 3/20 0.42
HRH3 Q9Y5N1 1/20 0.38
PDE5A O76074 1/20 0.36
CA2 P00918 2/20 0.36
CCR6 P51684 1/20 0.36
HRH4 Q9H3N8 1/20 0.36
ROCK2 O75116 5/20 0.36
FLT3 P36888 1/20 0.35
CYP3A4 P08684 1/20 0.35
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.34
ITK Q08881 1/20 0.34
TLR9 Q9NR96 1/20 0.34
TLR7 Q9NYK1 1/20 0.34

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
SCHEMBL4630016 0.90 CA2 (0.46) HTR6HRH3CA2CCR6HRH4
SCHEMBL4629545 0.85 VCP (0.47) HTR6HRH4KDM4E
SCHEMBL4630173 0.85 HRH4 (0.45) HTR6HRH3HRH4ROCK2LMNA
SCHEMBL4630178 0.85 HTR6 (0.44) HTR6HRH3PDE5AHRH4CYP3A4
SCHEMBL4629696 0.85 CYP3A4 (0.37) HRH3CA2HRH4CYP3A4
Hydrochloric Acid SCHEMBL4628914 0.84 VCP (0.46) HTR6HRH4KDM4E
SCHEMBL2265862 0.82 HTR6 (0.41) HTR6PDE5ACCR6ROCK2FLT3
SCHEMBL4629550 0.79 POLB (0.44) HTR6HRH3HRH4FLT3LMNA
SCHEMBL2270923 0.78 HTR6 (0.50) HTR6PDE5ACYP3A4
SCHEMBL28794298 0.77 CA2 (0.49) CA2FLT3CYP3A4KDM4E

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1919896-A1 AMINOARYL SULPHONAMIDE DERIVATIVES AS FUNCTIONAL 5-HT6 LIGANDS. Suven Life Sciences Limited (IN) 2008-05-14 EP claimed
WO-2007020652-A1 AMINOARYL SULPHONAMIDE DERIVATIVES AS FUNCTIONAL 5-HT6 LIGANDS. SUVEN LIFE SCIENCES LIMITED (IN) 2007-02-22 WO claimed
EP-1919896-A1 AMINOARYL SULPHONAMIDE DERIVATIVES AS FUNCTIONAL 5-HT6 LIGANDS. Suven Life Sciences Limited (IN) 2008-05-14 EP disclosed
WO-2007020652-A1 AMINOARYL SULPHONAMIDE DERIVATIVES AS FUNCTIONAL 5-HT6 LIGANDS. SUVEN LIFE SCIENCES LIMITED (IN) 2007-02-22 WO disclosed