SCHEMBL5484220

SCHEMBL5484220

CCOc1cc(CN(c2nc3cc(C(N)=O)ccc3o2)C2CCNCC2)cc(OCC)c1-n1cccc1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 7/20 0.44
KCNH2 Q12809 3/20 0.44
HRH1 P35367 3/20 0.41
SSTR1 P30872 2/20 0.37
HDAC6 Q9UBN7 3/20 0.36
DHFR P00374 1/20 0.34
JAK2 O60674 3/20 0.34
JAK1 P23458 3/20 0.34
TYK2 P29597 3/20 0.34
JAK3 P52333 3/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
CNR2 P34972 1/20 0.33
CHEK2 O96017 1/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 0.32

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
SCHEMBL4594138 0.93 SSTR5 (0.44) SSTR5KCNH2HRH1SSTR1HDAC6
SCHEMBL4593843 0.92 SSTR5 (0.43) SSTR5KCNH2HRH1SSTR1HDAC6
SCHEMBL1380236 0.88 SSTR5 (0.54) SSTR5KCNH2SSTR1HDAC6JAK2
SCHEMBL4594363 0.88 SSTR5 (0.41) SSTR5KCNH2HRH1SSTR1HDAC6
SCHEMBL5485903 0.88 HDAC6 (0.46) SSTR5KCNH2HRH1SSTR1HDAC6
SCHEMBL4593393 0.87 SSTR5 (0.42) SSTR5KCNH2HRH1SSTR1NPC1
SCHEMBL4593945 0.87 SSTR5 (0.41) SSTR5KCNH2HRH1SSTR1HDAC6
SCHEMBL1378217 0.86 SSTR5 (0.49) SSTR5KCNH2HRH1SSTR1DHFR
SCHEMBL4594029 0.85 SSTR5 (0.41) SSTR5KCNH2HRH1SSTR1SLC6A2
SCHEMBL5488609 0.85 SSTR5 (0.41) SSTR5HRH1DHFRSLC6A2SLC6A4

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-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