SCHEMBL4591939

SCHEMBL4591939

CCOc1cc(CN(C(=O)c2cc(OC)cc(OS(C)(=O)=O)c2)C2CCNCC2)cc(OCC)c1F

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 5/20 0.38
SLC6A2 P23975 4/20 0.38
SLC6A3 Q01959 4/20 0.38
KCNH2 Q12809 2/20 0.38
MBTPS1 Q14703 4/20 0.36
F10 P00742 1/20 0.36
PLAU P00749 1/20 0.36
TACR1 P25103 3/20 0.36
HTR2A P28223 2/20 0.36
POLB P06746 2/20 0.36
REN P00797 1/20 0.35
MEN1 O00255 1/20 0.35
HPGD P15428 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL4591213 0.91 TACR1 (0.39) SLC6A4SLC6A2SLC6A3KCNH2MBTPS1
SCHEMBL4629774 0.90 SSTR5 (0.40) KCNH2MBTPS1F10PLAUTACR1
SCHEMBL4591455 0.85 TACR1 (0.37) SLC6A4SLC6A2SLC6A3KCNH2MBTPS1
SCHEMBL4591464 0.85 REN (0.38) SLC6A4SLC6A2SLC6A3KCNH2MBTPS1
SCHEMBL4591515 0.84 REN (0.39) SLC6A4SLC6A2SLC6A3KCNH2TACR1
SCHEMBL4591832 0.84 HTR2A (0.40) SLC6A4SLC6A2SLC6A3KCNH2TACR1
SCHEMBL4591095 0.83 TACR1 (0.37) SLC6A4SLC6A2SLC6A3KCNH2MBTPS1
SCHEMBL4592477 0.80 POLB (0.46) SLC6A4SLC6A2SLC6A3KCNH2TACR1
SCHEMBL4591930 0.79 POLB (0.42) SLC6A4SLC6A2SLC6A3KCNH2TACR1
SCHEMBL4590969 0.79 POLB (0.45) SLC6A4SLC6A2SLC6A3KCNH2TACR1

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