SCHEMBL5489141

SCHEMBL5489141

CCOc1cc(CN(c2nc3cc(S(N)(=O)=O)ccc3o2)C2CCNCC2)ccc1O

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 13/20 0.47
HRH1 P35367 6/20 0.47
KCNH2 Q12809 4/20 0.47
SSTR1 P30872 1/20 0.47
SLC6A2 P23975 3/20 0.40
SLC6A4 P31645 3/20 0.40
SLC6A3 Q01959 3/20 0.40
CTSL P07711 1/20 0.39
CTSB P07858 1/20 0.39
CTSS P25774 1/20 0.39
CTSK P43235 1/20 0.39
PTGS1 P23219 1/20 0.35
PTGS2 P35354 1/20 0.35
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
IKBKB O14920 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
SCHEMBL5482380 0.94 SSTR5 (0.50) SSTR5HRH1KCNH2SSTR1SLC6A2
SCHEMBL1379344 0.92 SSTR5 (0.45) SSTR5HRH1KCNH2SSTR1SLC6A2
SCHEMBL1379151 0.91 SSTR5 (0.56) SSTR5HRH1KCNH2SSTR1SLC6A2
SCHEMBL5493265 0.91 SSTR5 (0.56) SSTR5HRH1KCNH2SSTR1SLC6A2
SCHEMBL1380432 0.91 SSTR5 (0.45) SSTR5HRH1KCNH2SSTR1SLC6A2
SCHEMBL1381121 0.90 SSTR5 (0.54) SSTR5HRH1KCNH2SSTR1SLC6A2
SCHEMBL1381559 0.90 SSTR5 (0.44) SSTR5HRH1KCNH2SSTR1SLC6A2
SCHEMBL5489076 0.89 SSTR5 (0.46) SSTR5HRH1KCNH2SSTR1SLC6A2
SCHEMBL5489347 0.89 SSTR5 (0.42) SSTR5HRH1KCNH2SSTR1SLC6A2
SCHEMBL5485759 0.89 SSTR5 (0.45) SSTR5HRH1KCNH2SSTR1SLC6A2

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