SCHEMBL4591391

SCHEMBL4591391

CCOc1cc(CN(C(=O)c2ccc(C(C)(C)C(=O)O)cc2)C2CCNCC2)cc(OCC)c1F

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
TACR1 P25103 4/20 0.41
AGER Q15109 2/20 0.39
MTNR1A P48039 1/20 0.39
SLC6A4 P31645 3/20 0.39
KCNH2 Q12809 2/20 0.39
SLC6A2 P23975 2/20 0.39
SLC6A3 Q01959 1/20 0.39
NSD2 O96028 1/20 0.38
DCUN1D1 Q96GG9 1/20 0.38
HSD11B1 P28845 1/20 0.38
MBTPS1 Q14703 4/20 0.38
F10 P00742 1/20 0.38
PLAU P00749 1/20 0.38
HTR2A P28223 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
SCHEMBL4591451 0.91 HDAC8 (0.43) HDAC3HDAC8HDAC6TACR1AGER
SCHEMBL4590753 0.88 REN (0.49) HDAC3HDAC8HDAC6TACR1SLC6A4
SCHEMBL4591595 0.87 HDAC3 (0.39) HDAC3HDAC8HDAC6TACR1SLC6A4
SCHEMBL4591707 0.82 POLB (0.44) TACR1SLC6A4KCNH2SLC6A2SLC6A3
SCHEMBL4591455 0.80 TACR1 (0.37) TACR1SLC6A4KCNH2SLC6A2SLC6A3
SCHEMBL4592042 0.80 REN (0.48) HDAC3HDAC8HDAC6TACR1SLC6A4
SCHEMBL4591469 0.80 HTR2A (0.43) TACR1SLC6A4KCNH2SLC6A2SLC6A3
SCHEMBL4591502 0.79 HDAC3 (0.40) HDAC3HDAC8HDAC6TACR1SLC6A4
SCHEMBL4630166 0.77 POLB (0.43) TACR1SLC6A4KCNH2SLC6A2SLC6A3
SCHEMBL4591095 0.75 TACR1 (0.37) TACR1SLC6A4KCNH2SLC6A2SLC6A3

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