SCHEMBL4590753

SCHEMBL4590753

CCOc1cc(CN(C(=O)c2ccc(C(C)(C)C(=O)O)cc2)C2CCNCC2)ccc1OC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
REN P00797 3/20 0.49
MBTPS1 Q14703 4/20 0.44
F10 P00742 1/20 0.44
PLAU P00749 1/20 0.44
HDAC3 O15379 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
SLC6A2 P23975 2/20 0.42
SLC6A4 P31645 2/20 0.42
SLC6A3 Q01959 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
KCNH2 Q12809 1/20 0.42
HPGD P15428 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
CTSD P07339 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
THRB P10828 1/20 0.41

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
SCHEMBL4592042 0.92 REN (0.48) RENMBTPS1F10PLAUHDAC3
SCHEMBL4591391 0.88 HDAC3 (0.42) MBTPS1F10PLAUHDAC3HDAC8
SCHEMBL4591595 0.85 HDAC3 (0.39) MBTPS1F10PLAUHDAC3HDAC8
SCHEMBL4591345 0.83 REN (0.46) RENMBTPS1F10PLAUSLC6A2
SCHEMBL4592048 0.82 MEN1 (0.52) RENSLC6A2SLC6A4SLC6A3MEN1
SCHEMBL4591350 0.82 REN (0.48) RENMBTPS1F10PLAUSLC6A2
SCHEMBL4591451 0.81 HDAC8 (0.43) MBTPS1F10PLAUHDAC3HDAC8
SCHEMBL4591502 0.79 HDAC3 (0.40) RENMBTPS1F10PLAUHDAC3
SCHEMBL4591877 0.78 REN (0.45) RENMBTPS1F10PLAUSLC6A2
SCHEMBL3973371 0.78 L3MBTL1 (0.53) RENSLC6A2SLC6A4SLC6A3MEN1

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