SCHEMBL4591876

SCHEMBL4591876

CCOc1cc(CN(C(=O)c2cccc(OS(C)(=O)=O)c2)C2CCNCC2)ccc1Cl

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.46
TACR1 P25103 3/20 0.45
SLC6A4 P31645 8/20 0.44
SLC6A2 P23975 7/20 0.44
SLC6A3 Q01959 5/20 0.44
KCNH2 Q12809 5/20 0.44
MEN1 O00255 1/20 0.44
HPGD P15428 1/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
SSTR5 P35346 1/20 0.42
MBTPS1 Q14703 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL4591623 0.91 POLB (0.47) POLBTACR1SLC6A4SLC6A2SLC6A3
SCHEMBL4592477 0.90 POLB (0.46) POLBTACR1SLC6A4SLC6A2SLC6A3
SCHEMBL4590969 0.87 POLB (0.45) POLBTACR1SLC6A4SLC6A2SLC6A3
SCHEMBL4591320 0.86 POLB (0.43) POLBTACR1SLC6A4SLC6A2SLC6A3
SCHEMBL4592091 0.86 POLB (0.43) POLBTACR1SLC6A4SLC6A2SLC6A3
SCHEMBL4591405 0.85 POLB (0.43) POLBTACR1SLC6A4SLC6A2SLC6A3
SCHEMBL4591599 0.85 POLB (0.42) POLBTACR1SLC6A4SLC6A2SLC6A3
SCHEMBL4590591 0.85 TACR1 (0.45) POLBTACR1SLC6A4SLC6A2SLC6A3
SCHEMBL4591330 0.85 POLB (0.42) POLBTACR1SLC6A4SLC6A2SLC6A3
SCHEMBL4591930 0.84 POLB (0.42) POLBTACR1SLC6A4SLC6A2SLC6A3

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