SCHEMBL4592477

SCHEMBL4592477

CCOc1cc(CN(C(=O)c2cccc(OS(C)(=O)=O)c2)C2CCNCC2)ccc1F

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.46
SLC6A4 P31645 6/20 0.44
SLC6A2 P23975 5/20 0.44
SLC6A3 Q01959 4/20 0.44
KCNH2 Q12809 3/20 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
TACR1 P25103 4/20 0.43
L3MBTL1 Q9Y468 1/20 0.40
THRB P10828 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
SCHEMBL4591623 0.91 POLB (0.47) POLBSLC6A4SLC6A2SLC6A3KCNH2
SCHEMBL4591876 0.90 POLB (0.46) POLBSLC6A4SLC6A2SLC6A3KCNH2
SCHEMBL4592091 0.90 POLB (0.43) POLBSLC6A4SLC6A2SLC6A3KCNH2
SCHEMBL4590969 0.87 POLB (0.45) POLBSLC6A4SLC6A2SLC6A3KCNH2
SCHEMBL4591930 0.87 POLB (0.42) POLBSLC6A4SLC6A2SLC6A3KCNH2
SCHEMBL4590591 0.87 TACR1 (0.45) POLBSLC6A4SLC6A2SLC6A3KCNH2
SCHEMBL4591320 0.86 POLB (0.43) POLBSLC6A4SLC6A2SLC6A3KCNH2
SCHEMBL4591405 0.85 POLB (0.43) POLBSLC6A4SLC6A2SLC6A3KCNH2
SCHEMBL4591330 0.85 POLB (0.42) POLBSLC6A4SLC6A2SLC6A3KCNH2
SCHEMBL4591599 0.85 POLB (0.42) POLBSLC6A4SLC6A2SLC6A3KCNH2

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