SCHEMBL4591930

SCHEMBL4591930

CCOc1cc(CN(C(=O)c2cccc(OS(C)(=O)=O)c2)C2CCNCC2)cc(OCC)c1-c1ccc(F)cc1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.42
SSTR5 P35346 5/20 0.41
KCNH2 Q12809 4/20 0.40
TACR1 P25103 2/20 0.39
MEN1 O00255 1/20 0.39
HPGD P15428 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
SLC6A4 P31645 3/20 0.38
SLC6A2 P23975 2/20 0.38
SLC6A3 Q01959 2/20 0.38
HTR2A P28223 2/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL4592091 0.92 POLB (0.43) POLBKCNH2TACR1MEN1HPGD
SCHEMBL4629774 0.90 SSTR5 (0.40) SSTR5KCNH2TACR1HTR2A
SCHEMBL4592477 0.87 POLB (0.46) POLBKCNH2TACR1MEN1HPGD
SCHEMBL4590969 0.86 POLB (0.45) POLBKCNH2TACR1MEN1HPGD
SCHEMBL4591623 0.85 POLB (0.47) POLBKCNH2TACR1MEN1HPGD
SCHEMBL4591405 0.84 POLB (0.43) POLBKCNH2TACR1MEN1HPGD
SCHEMBL4590591 0.84 TACR1 (0.45) POLBSSTR5KCNH2TACR1MEN1
SCHEMBL4591876 0.84 POLB (0.46) POLBSSTR5KCNH2TACR1MEN1
SCHEMBL4591320 0.82 POLB (0.43) POLBKCNH2TACR1MEN1HPGD
SCHEMBL4591330 0.81 POLB (0.42) POLBKCNH2TACR1MEN1HPGD

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