SCHEMBL4591455

SCHEMBL4591455

CCOc1cc(CN(C(=O)c2cc(OC)cc(OC(C)(C)C(=O)O)c2)C2CCNCC2)cc(OCC)c1F

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 5/20 0.37
SLC6A4 P31645 3/20 0.36
KCNH2 Q12809 2/20 0.36
SLC6A2 P23975 2/20 0.36
SLC6A3 Q01959 2/20 0.36
SLC16A3 O15427 1/20 0.35
SLC16A1 P53985 1/20 0.35
HTR2A P28223 2/20 0.35
POLB P06746 1/20 0.35
MBTPS1 Q14703 1/20 0.35
MGLL Q99685 1/20 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
PPARG P37231 1/20 0.34
PPARD Q03181 1/20 0.34
PPARA Q07869 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
SCHEMBL4591095 0.92 TACR1 (0.37) TACR1SLC6A4KCNH2SLC6A2SLC6A3
SCHEMBL4591345 0.89 REN (0.46) TACR1SLC6A4KCNH2SLC6A2SLC6A3
SCHEMBL4591707 0.88 POLB (0.44) TACR1SLC6A4KCNH2SLC6A2SLC6A3
SCHEMBL4591790 0.88 SLC6A4 (0.36) TACR1SLC6A4KCNH2SLC6A2SLC6A3
SCHEMBL4591464 0.85 REN (0.38) TACR1SLC6A4KCNH2SLC6A2SLC6A3
SCHEMBL4591939 0.85 SLC6A4 (0.38) TACR1SLC6A4KCNH2SLC6A2SLC6A3
SCHEMBL4591832 0.83 HTR2A (0.40) TACR1SLC6A4KCNH2SLC6A2SLC6A3
SCHEMBL4591515 0.83 REN (0.39) TACR1SLC6A4KCNH2SLC6A2SLC6A3
SCHEMBL4591877 0.81 REN (0.45) TACR1SLC6A4KCNH2SLC6A2SLC6A3
SCHEMBL4591434 0.80 TACR1 (0.35) 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