SCHEMBL4591502

SCHEMBL4591502

CCOc1cc(CN(C(=O)c2ccc(C(C)(C)C(=O)OC)cc2)C2CCNCC2)cc(OCC)c1-n1cccc1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
MBTPS1 Q14703 6/20 0.38
F10 P00742 1/20 0.38
PLAU P00749 1/20 0.38
TACR1 P25103 5/20 0.37
SLC6A4 P31645 4/20 0.37
SLC6A2 P23975 3/20 0.37
SLC6A3 Q01959 3/20 0.37
KCNH2 Q12809 2/20 0.37
REN P00797 1/20 0.35
DCUN1D1 Q96GG9 1/20 0.35
HTR2A P28223 1/20 0.34

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
SCHEMBL4591595 0.92 HDAC3 (0.39) HDAC3HDAC8HDAC6MBTPS1F10
SCHEMBL4591451 0.88 HDAC8 (0.43) HDAC3HDAC8HDAC6MBTPS1F10
SCHEMBL4592042 0.87 REN (0.48) HDAC3HDAC8HDAC6MBTPS1F10
SCHEMBL4592111 0.83 MBTPS1 (0.39) MBTPS1F10PLAUSLC6A4SLC6A2
SCHEMBL4590615 0.80 POLB (0.41) TACR1SLC6A4SLC6A2SLC6A3KCNH2
SCHEMBL4591677 0.79 POLB (0.42) TACR1SLC6A4SLC6A2SLC6A3KCNH2
SCHEMBL4591434 0.79 TACR1 (0.35) MBTPS1F10PLAUTACR1SLC6A4
SCHEMBL4590753 0.79 REN (0.49) HDAC3HDAC8HDAC6MBTPS1F10
SCHEMBL4591391 0.79 HDAC3 (0.42) HDAC3HDAC8HDAC6MBTPS1F10
SCHEMBL4591790 0.79 SLC6A4 (0.36) MBTPS1F10PLAUTACR1SLC6A4

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