SCHEMBL4591707

SCHEMBL4591707

CCOc1cc(CN(C(=O)c2cccc(OC(C)(C)C(=O)O)c2)C2CCNCC2)cc(OCC)c1F

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.44
TACR1 P25103 4/20 0.42
MEN1 O00255 1/20 0.41
HPGD P15428 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
SLC6A4 P31645 3/20 0.40
KCNH2 Q12809 2/20 0.40
SLC6A2 P23975 2/20 0.40
SLC6A3 Q01959 2/20 0.40
HTT P42858 1/20 0.39
BCL9 O00512 1/20 0.39
CTNNB1 P35222 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
THRB P10828 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
SCHEMBL4630166 0.92 POLB (0.43) POLBTACR1MEN1HPGDKMT2A
SCHEMBL4591677 0.89 POLB (0.42) POLBTACR1MEN1HPGDKMT2A
SCHEMBL4592048 0.89 MEN1 (0.52) POLBTACR1MEN1HPGDKMT2A
SCHEMBL4591455 0.88 TACR1 (0.37) POLBTACR1MEN1HPGDKMT2A
SCHEMBL4591391 0.82 HDAC3 (0.42) TACR1SLC6A4KCNH2SLC6A2SLC6A3
SCHEMBL4590615 0.81 POLB (0.41) POLBTACR1MEN1HPGDKMT2A
SCHEMBL4591784 0.81 MEN1 (0.51) POLBTACR1MEN1HPGDKMT2A
SCHEMBL4591095 0.80 TACR1 (0.37) POLBTACR1MEN1HPGDKMT2A
SCHEMBL4591345 0.79 REN (0.46) POLBTACR1MEN1HPGDKMT2A
SCHEMBL4591790 0.79 SLC6A4 (0.36) POLBTACR1MEN1HPGDKMT2A

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