SCHEMBL4592048

SCHEMBL4592048

CCOc1cc(CN(C(=O)c2cccc(OC(C)(C)C(=O)O)c2)C2CCNCC2)ccc1OC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.52
HPGD P15428 1/20 0.52
KMT2A Q03164 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
REN P00797 3/20 0.46
POLB P06746 2/20 0.45
SLC6A2 P23975 2/20 0.43
SLC6A4 P31645 2/20 0.43
SLC6A3 Q01959 2/20 0.43
KCNH2 Q12809 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
BCL9 O00512 2/20 0.42
CTNNB1 P35222 2/20 0.42
TACR1 P25103 3/20 0.41
ALDH1A1 P00352 1/20 0.41
GLA P06280 1/20 0.41
GAA P10253 1/20 0.41
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
THRB P10828 1/20 0.40

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
SCHEMBL4591784 0.92 MEN1 (0.51) MEN1HPGDKMT2ASMN1; SMN2REN
SCHEMBL4591345 0.91 REN (0.46) MEN1HPGDKMT2ASMN1; SMN2REN
SCHEMBL4591707 0.89 POLB (0.44) MEN1HPGDKMT2ASMN1; SMN2POLB
SCHEMBL4591677 0.87 POLB (0.42) MEN1HPGDKMT2ASMN1; SMN2POLB
SCHEMBL4591877 0.83 REN (0.45) MEN1HPGDKMT2ASMN1; SMN2REN
SCHEMBL4591603 0.83 MEN1 (0.53) MEN1HPGDKMT2ASMN1; SMN2REN
SCHEMBL4590753 0.82 REN (0.49) MEN1HPGDKMT2ASMN1; SMN2REN
SCHEMBL4630166 0.81 POLB (0.43) MEN1HPGDKMT2ASMN1; SMN2POLB
SCHEMBL4591455 0.80 TACR1 (0.37) MEN1HPGDKMT2ASMN1; SMN2REN
SCHEMBL4591790 0.80 SLC6A4 (0.36) MEN1HPGDKMT2ASMN1; SMN2REN

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