SCHEMBL4591350

SCHEMBL4591350

CCOc1cc(CN(C(=O)c2ccc(CC(C)C(=O)OC)cc2)C2CCNCC2)ccc1OC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
REN P00797 3/20 0.48
MBTPS1 Q14703 5/20 0.43
F10 P00742 1/20 0.43
PLAU P00749 1/20 0.43
CTSD P07339 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
HPGD P15428 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
SLC6A2 P23975 2/20 0.41
SLC6A4 P31645 2/20 0.41
SLC6A3 Q01959 2/20 0.41
KCNH2 Q12809 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MAPT P10636 2/20 0.40
THRB P10828 2/20 0.40
LMNA P02545 1/20 0.40
MC4R P32245 1/20 0.40
MC5R P33032 1/20 0.40
MC3R P41968 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
SCHEMBL4591469 0.90 HTR2A (0.43) MBTPS1F10PLAUSMN1; SMN2SLC6A2
SCHEMBL4592111 0.88 MBTPS1 (0.39) RENMBTPS1F10PLAUCTSD
SCHEMBL4610673 0.85 MBTPS1 (0.37) RENMBTPS1F10PLAUCTSD
SCHEMBL4592042 0.83 REN (0.48) RENMBTPS1F10PLAUCTSD
SCHEMBL4590753 0.82 REN (0.49) RENMBTPS1F10PLAUCTSD
SCHEMBL4591603 0.80 MEN1 (0.53) RENMEN1KMT2AHPGDSMN1; SMN2
SCHEMBL4591877 0.76 REN (0.45) RENMBTPS1F10PLAUMEN1
SCHEMBL4591345 0.76 REN (0.46) RENMBTPS1F10PLAUMEN1
SCHEMBL4591784 0.76 MEN1 (0.51) RENMBTPS1F10PLAUMEN1
SCHEMBL4592048 0.75 MEN1 (0.52) RENMEN1KMT2AHPGDSMN1; 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