SCHEMBL4611157

SCHEMBL4611157

CCOC(=O)C(C)C(Oc1cccc(OC)c1)C(=O)N(Cc1cc(OCC)c(-n2cccc2)c(OCC)c1)C1CCNCC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 3/20 0.38
SLC6A2 P23975 8/20 0.37
SLC6A4 P31645 8/20 0.37
SLC6A3 Q01959 6/20 0.37
KCNH2 Q12809 1/20 0.37
THRB P10828 1/20 0.35
UBE2M P61081 1/20 0.35
DCUN1D1 Q96GG9 1/20 0.35
REN P00797 1/20 0.35
CYP2D6 P10635 1/20 0.34
HTR2A P28223 1/20 0.34
MAPK1 P28482 2/20 0.34
ALDH1A1 P00352 1/20 0.34
TSHR P16473 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34

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
SCHEMBL4590911 0.80 TACR1 (0.36) TACR1SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL4592438 0.79 POLB (0.43) TACR1SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL4591434 0.75 TACR1 (0.35) TACR1SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL4592111 0.74 MBTPS1 (0.39) SLC6A2SLC6A4SLC6A3KCNH2THRB
SCHEMBL4590615 0.74 POLB (0.41) TACR1SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL4591405 0.73 POLB (0.43) TACR1SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL4591790 0.73 SLC6A4 (0.36) TACR1SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL4591677 0.72 POLB (0.42) TACR1SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL4591502 0.70 HDAC3 (0.40) TACR1SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL4591595 0.70 HDAC3 (0.39) TACR1SLC6A2SLC6A4SLC6A3KCNH2

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