SCHEMBL4591603

SCHEMBL4591603

CCOC(=O)C(C)COc1cccc(C(=O)N(Cc2ccc(OC)c(OCC)c2)C2CCNCC2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.53
HPGD P15428 1/20 0.53
KMT2A Q03164 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
POLB P06746 2/20 0.46
REN P00797 3/20 0.44
SLC6A2 P23975 2/20 0.42
SLC6A4 P31645 2/20 0.42
SLC6A3 Q01959 2/20 0.42
KCNH2 Q12809 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
TACR1 P25103 2/20 0.41
TP53 P04637 1/20 0.40
ALDH1A1 P00352 1/20 0.40
GLA P06280 1/20 0.40
GAA P10253 1/20 0.40
THRB P10828 2/20 0.39
HTT P42858 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL4592438 0.88 POLB (0.43) MEN1HPGDKMT2ASMN1; SMN2POLB
SCHEMBL4591784 0.84 MEN1 (0.51) MEN1HPGDKMT2ASMN1; SMN2POLB
SCHEMBL4592048 0.83 MEN1 (0.52) MEN1HPGDKMT2ASMN1; SMN2POLB
SCHEMBL4591832 0.82 HTR2A (0.40) SMN1; SMN2POLBSLC6A2SLC6A4SLC6A3
SCHEMBL4590911 0.81 TACR1 (0.36) MEN1HPGDKMT2ASMN1; SMN2POLB
SCHEMBL4591350 0.80 REN (0.48) MEN1HPGDKMT2ASMN1; SMN2REN
SCHEMBL4591877 0.77 REN (0.45) MEN1HPGDKMT2ASMN1; SMN2POLB
SCHEMBL4591623 0.77 POLB (0.47) MEN1HPGDKMT2ASMN1; SMN2POLB
SCHEMBL4591345 0.75 REN (0.46) MEN1HPGDKMT2ASMN1; SMN2POLB
SCHEMBL4630166 0.75 POLB (0.43) MEN1HPGDKMT2ASMN1; SMN2POLB

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