SCHEMBL4591104

SCHEMBL4591104

CC(C)Oc1cc(CN(C(=O)c2cccc(OS(C)(=O)=O)c2)C2CCNCC2)cc(OC(C)C)c1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MBTPS1 Q14703 3/20 0.47
SLC6A9 P48067 1/20 0.44
SLC6A5 Q9Y345 1/20 0.44
SLC6A4 P31645 6/20 0.43
SLC6A2 P23975 5/20 0.43
SLC6A3 Q01959 5/20 0.43
KCNH2 Q12809 3/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HTR2A P28223 1/20 0.41
MAPT P10636 1/20 0.40
THRB P10828 1/20 0.40
POLB P06746 2/20 0.40
TP53 P04637 1/20 0.40
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GLA P06280 1/20 0.39
GAA P10253 1/20 0.39

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
SCHEMBL4590969 0.81 POLB (0.45) SLC6A4SLC6A2SLC6A3KCNH2L3MBTL1
SCHEMBL4591623 0.79 POLB (0.47) SLC6A4SLC6A2SLC6A3KCNH2L3MBTL1
SCHEMBL4591405 0.79 POLB (0.43) SLC6A4SLC6A2SLC6A3KCNH2L3MBTL1
SCHEMBL4591876 0.78 POLB (0.46) MBTPS1SLC6A4SLC6A2SLC6A3KCNH2
SCHEMBL4592477 0.78 POLB (0.46) SLC6A4SLC6A2SLC6A3KCNH2L3MBTL1
SCHEMBL4591930 0.78 POLB (0.42) SLC6A4SLC6A2SLC6A3KCNH2HTR2A
SCHEMBL4591320 0.75 POLB (0.43) SLC6A4SLC6A2SLC6A3KCNH2L3MBTL1
SCHEMBL4592091 0.75 POLB (0.43) SLC6A4SLC6A2SLC6A3KCNH2HTR2A
SCHEMBL4590591 0.74 TACR1 (0.45) SLC6A4SLC6A2SLC6A3KCNH2POLB
SCHEMBL4591330 0.74 POLB (0.42) SLC6A4SLC6A2SLC6A3KCNH2L3MBTL1

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-1893603-A1 PIPERIDIN-4-YL-AMIDE DERIVATIVES AND THEIR USE AS SST RECEPTOR SUBTYPE 5 ANTAGONISTS F. Hoffmann-La Roche AG (CH) 2008-03-05 EP disclosed
WO-2006128803-A1 PIPERIDIN-4-YL-AMIDE DERIVATIVES AND THEIR USE AS SST RECEPTOR SUBTYPE 5 ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2006-12-07 WO disclosed