SCHEMBL4076466

SCHEMBL4076466

CNC(=O)COc1cc(S(=O)(=O)c2cccc(F)c2)ccc1C1CCN(C(=O)OC(C)(C)C)C1.CNC(=O)COc1cc(S(=O)(=O)c2cccc(F)c2)ccc1C1CCNC1

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 10/20 0.41
GPR119 Q8TDV5 2/20 0.39
SFRP1 Q8N474 4/20 0.39
BRD3 Q15059 1/20 0.36

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
SCHEMBL1014342 0.93 HTR6 (0.46) HTR6GPR119SFRP1
SCHEMBL1015429 0.87 HTR6 (0.47) HTR6
SCHEMBL1015807 0.86 GPR119 (0.45) HTR6GPR119SFRP1
SCHEMBL4081306 0.82 TP53 (0.42) HTR6GPR119SFRP1
SCHEMBL1015330 0.82 GPR119 (0.43) HTR6GPR119SFRP1
SCHEMBL1012382 0.81 PDE4B (0.51) HTR6GPR119SFRP1
SCHEMBL1012384 0.81 PDE4B (0.51) HTR6GPR119SFRP1
SCHEMBL1012808 0.81 PDE4B (0.51) HTR6GPR119SFRP1
SCHEMBL1013417 0.79 HTR6 (0.47) HTR6
SCHEMBL1013418 0.79 HTR6 (0.47) HTR6

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
EP-2081890-A1 ARYLSULFONYL PYRROLIDINES AS 5-HT6 INHIBITORS F. Hoffmann-Roche AG (CH) 2009-07-29 EP disclosed
WO-2008055847-A1 ARYLSULFONYL PYRROLIDINES AS 5-HT6 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2008-05-15 WO disclosed