SCHEMBL4591345

SCHEMBL4591345

CCOc1cc(CN(C(=O)c2cc(OC)cc(OC(C)(C)C(=O)O)c2)C2CCNCC2)ccc1OC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
REN P00797 3/20 0.46
MEN1 O00255 1/20 0.43
HPGD P15428 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
SLC6A2 P23975 3/20 0.42
SLC6A4 P31645 3/20 0.42
SLC6A3 Q01959 3/20 0.42
KCNH2 Q12809 1/20 0.42
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
THRB P10828 1/20 0.39
MC4R P32245 1/20 0.38
MC5R P33032 1/20 0.38
MC3R P41968 1/20 0.38
MBTPS1 Q14703 4/20 0.38
F10 P00742 1/20 0.38
PLAU P00749 1/20 0.38
TACR1 P25103 3/20 0.38
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL4591877 0.92 REN (0.45) RENMEN1HPGDKMT2ASMN1; SMN2
SCHEMBL4592048 0.91 MEN1 (0.52) RENMEN1HPGDKMT2ASMN1; SMN2
SCHEMBL4591455 0.89 TACR1 (0.37) RENMEN1HPGDKMT2ASMN1; SMN2
SCHEMBL4591790 0.87 SLC6A4 (0.36) RENMEN1HPGDKMT2ASMN1; SMN2
SCHEMBL4591784 0.83 MEN1 (0.51) RENMEN1HPGDKMT2ASMN1; SMN2
SCHEMBL4590753 0.83 REN (0.49) RENMEN1HPGDKMT2ASMN1; SMN2
SCHEMBL4591095 0.81 TACR1 (0.37) RENMEN1HPGDKMT2ASMN1; SMN2
SCHEMBL4591434 0.80 TACR1 (0.35) RENMEN1HPGDKMT2ASMN1; SMN2
SCHEMBL4591707 0.79 POLB (0.44) MEN1HPGDKMT2ASMN1; SMN2SLC6A2
SCHEMBL4592042 0.79 REN (0.48) RENMEN1HPGDKMT2ASMN1; SMN2

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