SCHEMBL4610673

SCHEMBL4610673

CCOc1cc(CN(C(=O)c2ccc(CC(C)C(=O)OC)cc2)C2CCNCC2)cc(OCC)c1-c1nc[nH]n1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MBTPS1 Q14703 5/20 0.37
F10 P00742 1/20 0.37
PLAU P00749 1/20 0.37
HTR2A P28223 2/20 0.36
SLC6A4 P31645 4/20 0.36
KCNH2 Q12809 3/20 0.36
SLC6A2 P23975 3/20 0.36
SLC6A3 Q01959 3/20 0.36
MAPT P10636 1/20 0.36
THRB P10828 1/20 0.36
TACR1 P25103 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CTSD P07339 1/20 0.35
ACACB O00763 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
REN P00797 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
SCHEMBL4591469 0.87 HTR2A (0.43) MBTPS1F10PLAUHTR2ASLC6A4
SCHEMBL4591350 0.85 REN (0.48) MBTPS1F10PLAUSLC6A4KCNH2
SCHEMBL4592111 0.83 MBTPS1 (0.39) MBTPS1F10PLAUHTR2ASLC6A4
SCHEMBL4591451 0.69 HDAC8 (0.43) MBTPS1F10PLAUHTR2ASLC6A4
SCHEMBL4592042 0.69 REN (0.48) MBTPS1F10PLAUSLC6A4KCNH2
SCHEMBL4590753 0.68 REN (0.49) MBTPS1F10PLAUSLC6A4KCNH2
SCHEMBL4591391 0.67 HDAC3 (0.42) MBTPS1F10PLAUHTR2ASLC6A4
SCHEMBL4591832 0.67 HTR2A (0.40) HTR2ASLC6A4KCNH2SLC6A2SLC6A3
SCHEMBL4591603 0.67 MEN1 (0.53) SLC6A4KCNH2SLC6A2SLC6A3MAPT
SCHEMBL4591502 0.67 HDAC3 (0.40) MBTPS1F10PLAUHTR2ASLC6A4

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