SCHEMBL4590911

SCHEMBL4590911

CCOC(=O)C(C)COc1cc(OC)cc(C(=O)N(Cc2cc(OCC)c(-n3cccc3)c(OCC)c2)C2CCNCC2)c1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 3/20 0.36
SLC6A4 P31645 3/20 0.35
SLC6A2 P23975 2/20 0.35
SLC6A3 Q01959 2/20 0.35
KCNH2 Q12809 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
HTR2A P28223 4/20 0.34
MEN1 O00255 1/20 0.33
HPGD P15428 1/20 0.33
KMT2A Q03164 1/20 0.33
MAPT P10636 1/20 0.33
THRB P10828 1/20 0.33
REN P00797 1/20 0.33
MBTPS1 Q14703 3/20 0.33
F10 P00742 1/20 0.33
PLAU P00749 1/20 0.33
POLB P06746 1/20 0.33

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 0.90 POLB (0.43) TACR1SLC6A4SLC6A2SLC6A3KCNH2
SCHEMBL4591832 0.89 HTR2A (0.40) TACR1SLC6A4SLC6A2SLC6A3KCNH2
SCHEMBL4591434 0.85 TACR1 (0.35) TACR1SLC6A4SLC6A2SLC6A3KCNH2
SCHEMBL4591790 0.83 SLC6A4 (0.36) TACR1SLC6A4SLC6A2SLC6A3KCNH2
SCHEMBL4591603 0.81 MEN1 (0.53) TACR1SLC6A4SLC6A2SLC6A3KCNH2
SCHEMBL4592111 0.80 MBTPS1 (0.39) SLC6A4SLC6A2SLC6A3KCNH2HTR2A
SCHEMBL4611157 0.80 TACR1 (0.38) TACR1SLC6A4SLC6A2SLC6A3KCNH2
SCHEMBL4590615 0.77 POLB (0.41) TACR1SLC6A4SLC6A2SLC6A3KCNH2
SCHEMBL4591887 0.76 TACR1 (0.45) TACR1SLC6A4SLC6A2SLC6A3KCNH2
SCHEMBL4591405 0.76 POLB (0.43) TACR1SLC6A4SLC6A2SLC6A3KCNH2

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