SCHEMBL4591790

SCHEMBL4591790

CCOc1cc(CN(C(=O)c2cc(OC)cc(OC(C)(C)C(=O)O)c2)C2CCNCC2)cc(OCC)c1-n1cccc1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 3/20 0.36
KCNH2 Q12809 2/20 0.36
SLC6A2 P23975 2/20 0.36
SLC6A3 Q01959 2/20 0.36
TACR1 P25103 4/20 0.34
MBTPS1 Q14703 4/20 0.34
REN P00797 1/20 0.34
MEN1 O00255 1/20 0.34
HPGD P15428 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
SLC16A3 O15427 3/20 0.33
SLC16A1 P53985 3/20 0.33
F10 P00742 1/20 0.33
PLAU P00749 1/20 0.33
POLB P06746 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HTR2A P28223 1/20 0.33

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
SCHEMBL4591434 0.92 TACR1 (0.35) SLC6A4KCNH2SLC6A2SLC6A3TACR1
SCHEMBL4591677 0.90 POLB (0.42) SLC6A4KCNH2SLC6A2SLC6A3TACR1
SCHEMBL4591455 0.88 TACR1 (0.37) SLC6A4KCNH2SLC6A2SLC6A3TACR1
SCHEMBL4591345 0.87 REN (0.46) SLC6A4KCNH2SLC6A2SLC6A3TACR1
SCHEMBL4590911 0.83 TACR1 (0.36) SLC6A4KCNH2SLC6A2SLC6A3TACR1
SCHEMBL4590615 0.82 POLB (0.41) SLC6A4KCNH2SLC6A2SLC6A3TACR1
SCHEMBL4591595 0.82 HDAC3 (0.39) SLC6A4KCNH2SLC6A2SLC6A3TACR1
SCHEMBL4591095 0.80 TACR1 (0.37) SLC6A4KCNH2SLC6A2SLC6A3TACR1
SCHEMBL4592048 0.80 MEN1 (0.52) SLC6A4KCNH2SLC6A2SLC6A3TACR1
SCHEMBL4591877 0.80 REN (0.45) SLC6A4KCNH2SLC6A2SLC6A3TACR1

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