SCHEMBL4592111

SCHEMBL4592111

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

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MBTPS1 Q14703 9/20 0.39
F10 P00742 1/20 0.39
PLAU P00749 1/20 0.39
SLC6A4 P31645 5/20 0.39
SLC6A2 P23975 4/20 0.39
SLC6A3 Q01959 4/20 0.39
KCNH2 Q12809 3/20 0.39
REN P00797 1/20 0.36
MAPT P10636 1/20 0.36
THRB P10828 1/20 0.36
CTSD P07339 1/20 0.35
HTR2A P28223 2/20 0.35

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
SCHEMBL4591469 0.88 HTR2A (0.43) MBTPS1F10PLAUSLC6A4SLC6A2
SCHEMBL4591350 0.88 REN (0.48) MBTPS1F10PLAUSLC6A4SLC6A2
SCHEMBL4610673 0.83 MBTPS1 (0.37) MBTPS1F10PLAUSLC6A4SLC6A2
SCHEMBL4591502 0.83 HDAC3 (0.40) MBTPS1F10PLAUSLC6A4SLC6A2
SCHEMBL4591595 0.81 HDAC3 (0.39) MBTPS1F10PLAUSLC6A4SLC6A2
SCHEMBL4592438 0.81 POLB (0.43) SLC6A4SLC6A2SLC6A3KCNH2THRB
SCHEMBL4590911 0.80 TACR1 (0.36) MBTPS1F10PLAUSLC6A4SLC6A2
SCHEMBL4591405 0.77 POLB (0.43) SLC6A4SLC6A2SLC6A3KCNH2THRB
SCHEMBL4590615 0.76 POLB (0.41) SLC6A4SLC6A2SLC6A3KCNH2THRB
SCHEMBL4591677 0.76 POLB (0.42) SLC6A4SLC6A2SLC6A3KCNH2

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