SCHEMBL1015448

SCHEMBL1015448

CCC(C)C(N)C(=O)Oc1cc(S(=O)(=O)c2ccccc2)ccc1[C@@H]1CCNC1

nearest known ligand 0.40

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 15/20 0.40
CHRM2 P08172 2/20 0.36
CHRM1 P11229 2/20 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
SCHEMBL1015450 1.00 HTR6 (0.40) HTR6CHRM2CHRM1
SCHEMBL13210846 1.00 HTR6 (0.40) HTR6CHRM2CHRM1
SCHEMBL1015449 1.00 HTR6 (0.40) HTR6CHRM2CHRM1
SCHEMBL1015810 0.87 HTR6 (0.45) HTR6CHRM2CHRM1
SCHEMBL1015809 0.87 HTR6 (0.45) HTR6CHRM2CHRM1
SCHEMBL1014775 0.85 HTR6 (0.45) HTR6
SCHEMBL1015899 0.85 HTR6 (0.45) HTR6
SCHEMBL1015647 0.78 HTR6 (0.50) HTR6CHRM2CHRM1
SCHEMBL1015648 0.78 HTR6 (0.50) HTR6CHRM2CHRM1
SCHEMBL1015649 0.78 HTR6 (0.50) HTR6CHRM2CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2081890-B1 ARYLSULFONYL PYRROLIDINES AS 5-HT6 INHIBITORS HOFFMANN LA ROCHE (CH) 2011-01-12 EP claimed
EP-2081890-A1 ARYLSULFONYL PYRROLIDINES AS 5-HT6 INHIBITORS F. Hoffmann-Roche AG (CH) 2009-07-29 EP claimed
WO-2008055847-A1 ARYLSULFONYL PYRROLIDINES AS 5-HT6 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2008-05-15 WO claimed
EP-2081890-B1 ARYLSULFONYL PYRROLIDINES AS 5-HT6 INHIBITORS HOFFMANN LA ROCHE (CH) 2011-01-12 EP disclosed
US-7776910-B2 Arylsulfonyl pyrrolidines as 5-HT6 inhibitors ROCHE PALO ALTO LLC (US) 2010-08-17 US disclosed