SCHEMBL1380236

SCHEMBL1380236

CCOc1cc(CN(c2nc3cc(C(N)=O)ccc3o2)C2CCNCC2)cc(OCC)c1F

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 7/20 0.54
KCNH2 Q12809 1/20 0.54
SSTR1 P30872 1/20 0.38
HDAC6 Q9UBN7 2/20 0.36
JAK2 O60674 3/20 0.34
JAK1 P23458 3/20 0.34
TYK2 P29597 3/20 0.34
JAK3 P52333 3/20 0.34
CHEK2 O96017 2/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
MAPK1 P28482 1/20 0.34
ALOX5AP P20292 1/20 0.34
FEN1 P39748 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.34
FLT4 P35916 1/20 0.33
PTK2 Q05397 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
SCHEMBL4593544 0.93 SSTR5 (0.46) SSTR5KCNH2SSTR1HDAC6NPC1
SCHEMBL4594514 0.91 SSTR5 (0.46) SSTR5KCNH2SSTR1HDAC6NPC1
SCHEMBL5485903 0.89 HDAC6 (0.46) SSTR5KCNH2SSTR1HDAC6MAPK1
SCHEMBL5484220 0.88 SSTR5 (0.44) SSTR5KCNH2SSTR1HDAC6JAK2
SCHEMBL4594329 0.88 SSTR5 (0.42) SSTR5KCNH2NPC1RAB9AMAPK1
SCHEMBL4594591 0.87 GAA (0.42) SSTR5KCNH2PTGDR2
SCHEMBL4593627 0.86 SSTR5 (0.39) SSTR5KCNH2SSTR1PTGDR2
SCHEMBL4594604 0.86 SSTR5 (0.54) SSTR5KCNH2SSTR1NPC1RAB9A
SCHEMBL4594820 0.85 SSTR5 (0.39) SSTR5KCNH2PTGDR2
SCHEMBL4594452 0.85 SSTR5 (0.41) SSTR5KCNH2SSTR1HDAC6NPC1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4708474-B2 2011-06-22 JP claimed
JP-2008532963-A 2008-08-21 JP claimed
EP-1858901-A1 BENZOTHIAZOLE, THIAZOLOPYRIDINE, BENZOOXAZOLE AND OXAZOLOPYRIDINE DERIVATIVES AS ANTIDIABETIC COMPOUNDS F. Hoffmann-La Roche AG (CH) 2007-11-28 EP claimed
WO-2006094682-A1 BENZOTHIAZOLE, THIAZOLOPYRIDINE, BENZOOXAZOLE AND OXAZOLOPYRIDINE DERIVATIVES AS ANTIDIABETIC COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2006-09-14 WO claimed
EP-1858901-A1 BENZOTHIAZOLE, THIAZOLOPYRIDINE, BENZOOXAZOLE AND OXAZOLOPYRIDINE DERIVATIVES AS ANTIDIABETIC COMPOUNDS F. Hoffmann-La Roche AG (CH) 2007-11-28 EP disclosed
WO-2006094682-A1 BENZOTHIAZOLE, THIAZOLOPYRIDINE, BENZOOXAZOLE AND OXAZOLOPYRIDINE DERIVATIVES AS ANTIDIABETIC COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2006-09-14 WO disclosed