SCHEMBL4590969

SCHEMBL4590969

CCOc1cc(CN(C(=O)c2cccc(OS(C)(=O)=O)c2)C2CCNCC2)cc(OCC)c1C1CC1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.45
MEN1 O00255 1/20 0.41
HPGD P15428 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
SLC6A4 P31645 7/20 0.41
SLC6A2 P23975 6/20 0.41
SLC6A3 Q01959 6/20 0.41
KCNH2 Q12809 3/20 0.41
TACR1 P25103 3/20 0.40
HTT P42858 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
THRB P10828 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
SCHEMBL4591623 0.88 POLB (0.47) POLBMEN1HPGDKMT2ASMN1; SMN2
SCHEMBL4591405 0.88 POLB (0.43) POLBMEN1HPGDKMT2ASMN1; SMN2
SCHEMBL4591876 0.87 POLB (0.46) POLBMEN1HPGDKMT2ASMN1; SMN2
SCHEMBL4592477 0.87 POLB (0.46) POLBMEN1HPGDKMT2ASMN1; SMN2
SCHEMBL4591930 0.86 POLB (0.42) POLBMEN1HPGDKMT2ASMN1; SMN2
SCHEMBL4591320 0.84 POLB (0.43) POLBMEN1HPGDKMT2ASMN1; SMN2
SCHEMBL4592091 0.84 POLB (0.43) POLBMEN1HPGDKMT2ASMN1; SMN2
SCHEMBL4590591 0.83 TACR1 (0.45) POLBMEN1HPGDKMT2ASMN1; SMN2
SCHEMBL4591330 0.83 POLB (0.42) POLBMEN1HPGDKMT2ASMN1; SMN2
SCHEMBL4591599 0.83 POLB (0.42) POLBMEN1HPGDKMT2ASMN1; SMN2

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