SCHEMBL4591677

SCHEMBL4591677

CCOc1cc(CN(C(=O)c2cccc(OC(C)(C)C(=O)O)c2)C2CCNCC2)cc(OCC)c1-n1cccc1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.42
MEN1 O00255 1/20 0.39
HPGD P15428 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
BCL9 O00512 6/20 0.39
CTNNB1 P35222 6/20 0.39
SLC6A4 P31645 2/20 0.38
KCNH2 Q12809 2/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A3 Q01959 1/20 0.38
TACR1 P25103 4/20 0.38
HTT P42858 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL4590615 0.92 POLB (0.41) POLBMEN1HPGDKMT2ASMN1; SMN2
SCHEMBL4591790 0.90 SLC6A4 (0.36) POLBMEN1HPGDKMT2ASMN1; SMN2
SCHEMBL4591707 0.89 POLB (0.44) POLBMEN1HPGDKMT2ASMN1; SMN2
SCHEMBL4592048 0.87 MEN1 (0.52) POLBMEN1HPGDKMT2ASMN1; SMN2
SCHEMBL4591405 0.86 POLB (0.43) POLBMEN1HPGDKMT2ASMN1; SMN2
SCHEMBL4591595 0.84 HDAC3 (0.39) SLC6A4KCNH2SLC6A2SLC6A3TACR1
SCHEMBL4592438 0.83 POLB (0.43) POLBMEN1HPGDKMT2ASMN1; SMN2
SCHEMBL4591434 0.82 TACR1 (0.35) POLBMEN1HPGDKMT2ASMN1; SMN2
SCHEMBL4630166 0.81 POLB (0.43) POLBMEN1HPGDKMT2ASMN1; SMN2
SCHEMBL4591784 0.80 MEN1 (0.51) 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