SCHEMBL4081306

SCHEMBL4081306

CCOC(=O)c1cc(S(=O)(=O)c2cccc(F)c2)ccc1C1CCN(C(=O)OC(C)(C)C)C1.CCOC(=O)c1cc(S(=O)(=O)c2cccc(F)c2)ccc1C1CCNC1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.42
POLB P06746 1/20 0.42
GPR119 Q8TDV5 2/20 0.40
ALDH1A1 P00352 2/20 0.39
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HTR6 P50406 6/20 0.38
HPGD P15428 2/20 0.38
SFRP1 Q8N474 2/20 0.38
KDM4E B2RXH2 1/20 0.38

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
SCHEMBL1012528 0.93 TP53 (0.47) TP53POLBGPR119ALDH1A1MEN1
SCHEMBL1018293 0.87 HTR6 (0.48) HTR6
SCHEMBL1016748 0.82 SFRP1 (0.47) TP53GPR119SMN1; SMN2HTR6SFRP1
SCHEMBL4076466 0.82 HTR6 (0.41) GPR119HTR6SFRP1
SCHEMBL1015101 0.79 SFRP1 (0.46) TP53GPR119HTR6SFRP1
SCHEMBL1015103 0.79 SFRP1 (0.46) TP53GPR119HTR6SFRP1
SCHEMBL13230102 0.79 TP53 (0.48) TP53POLBGPR119ALDH1A1MEN1
SCHEMBL1016558 0.79 GPR119 (0.45) GPR119HTR6SFRP1
SCHEMBL1012808 0.78 PDE4B (0.51) GPR119ALDH1A1LMNAHTR6SFRP1
SCHEMBL1012384 0.78 PDE4B (0.51) GPR119ALDH1A1LMNAHTR6SFRP1

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