SCHEMBL4591213

SCHEMBL4591213

CCOc1cc(CN(C(=O)c2cc(OC)cc(OS(C)(=O)=O)c2)C2CCNCC2)cc(OCC)c1Cl

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 3/20 0.39
SLC6A4 P31645 7/20 0.38
SLC6A2 P23975 6/20 0.38
SLC6A3 Q01959 5/20 0.38
KCNH2 Q12809 2/20 0.38
MBTPS1 Q14703 5/20 0.36
F10 P00742 1/20 0.36
PLAU P00749 1/20 0.36
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36
POLB P06746 1/20 0.36
REN P00797 1/20 0.35
MEN1 O00255 1/20 0.35
HPGD P15428 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 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
SCHEMBL4591939 0.91 SLC6A4 (0.38) TACR1SLC6A4SLC6A2SLC6A3KCNH2
SCHEMBL4591860 0.87 TACR1 (0.45) TACR1SLC6A4SLC6A2SLC6A3KCNH2
SCHEMBL4629774 0.86 SSTR5 (0.40) TACR1KCNH2MBTPS1F10PLAU
SCHEMBL4591887 0.85 TACR1 (0.45) TACR1SLC6A4SLC6A2SLC6A3KCNH2
SCHEMBL4591876 0.80 POLB (0.46) TACR1SLC6A4SLC6A2SLC6A3KCNH2
SCHEMBL4590969 0.79 POLB (0.45) TACR1SLC6A4SLC6A2SLC6A3KCNH2
SCHEMBL4591623 0.77 POLB (0.47) TACR1SLC6A4SLC6A2SLC6A3KCNH2
SCHEMBL4591405 0.77 POLB (0.43) TACR1SLC6A4SLC6A2SLC6A3KCNH2
SCHEMBL4591464 0.76 REN (0.38) TACR1SLC6A4SLC6A2SLC6A3KCNH2
SCHEMBL4592477 0.76 POLB (0.46) TACR1SLC6A4SLC6A2SLC6A3KCNH2

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