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SCHEMBL4629774

SCHEMBL4629774

CCOc1cc(CN(C(=O)c2cc(OC)cc(OS(C)(=O)=O)c2)C2CCNCC2)cc(OCC)c1-c1ccc(F)cc1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ SSTR5 P35346 11/20 0.40
▸ KCNH2 Q12809 2/20 0.40
▸ HTR2A P28223 2/20 0.38
▸ TACR1 P25103 1/20 0.37
▸ NSD2 O96028 1/20 0.37
▸ MBTPS1 Q14703 3/20 0.36
▸ F10 P00742 1/20 0.36
▸ PLAU P00749 1/20 0.36

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
SCHEMBL4591930 0.90 POLB (0.42) SSTR5KCNH2HTR2ATACR1
SCHEMBL4591939 0.90 SLC6A4 (0.38) KCNH2HTR2ATACR1MBTPS1F10
SCHEMBL4592104 0.88 SSTR5 (0.42) SSTR5KCNH2HTR2ATACR1
SCHEMBL4591473 0.87 TACR1 (0.41) SSTR5KCNH2HTR2ATACR1NSD2
SCHEMBL4591213 0.86 TACR1 (0.39) KCNH2TACR1MBTPS1F10PLAU
SCHEMBL4592091 0.81 POLB (0.43) KCNH2HTR2ATACR1NSD2F10
SCHEMBL4700562 0.78 SSTR5 (0.41) SSTR5KCNH2
SCHEMBL4592477 0.77 POLB (0.46) KCNH2TACR1
SCHEMBL3979077 0.76 SSTR5 (0.40) SSTR5KCNH2HTR2A
SCHEMBL4590969 0.76 POLB (0.45) KCNH2TACR1

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