SCHEMBL5485881

SCHEMBL5485881

CCOc1cc(CN(c2nc3cc(Cl)c(S(N)(=O)=O)cc3o2)C2CCNCC2)ccc1O

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 11/20 0.49
HRH1 P35367 5/20 0.49
KCNH2 Q12809 3/20 0.35
SSTR1 P30872 2/20 0.34
SLC6A2 P23975 4/20 0.34
SLC6A4 P31645 4/20 0.34
SLC6A3 Q01959 4/20 0.34
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
TACR1 P25103 2/20 0.32
IKBKB O14920 1/20 0.32
HTR2B P41595 1/20 0.32
UTS2R Q9UKP6 1/20 0.31

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
SCHEMBL1380597 0.94 SSTR5 (0.48) SSTR5HRH1KCNH2SSTR1SLC6A2
SCHEMBL5483662 0.92 SSTR5 (0.47) SSTR5HRH1KCNH2SSTR1SLC6A2
SCHEMBL5487222 0.92 SSTR5 (0.57) SSTR5HRH1KCNH2SLC6A2SLC6A4
SCHEMBL5485765 0.92 SSTR5 (0.57) SSTR5HRH1KCNH2SSTR1SLC6A2
SCHEMBL5484816 0.90 SSTR5 (0.48) SSTR5HRH1KCNH2SSTR1SLC6A2
SCHEMBL5484170 0.89 SSTR5 (0.56) SSTR5HRH1KCNH2SSTR1SLC6A2
SCHEMBL5489141 0.87 SSTR5 (0.47) SSTR5HRH1KCNH2SSTR1SLC6A2
SCHEMBL5486591 0.86 SSTR5 (0.43) SSTR5HRH1KCNH2SLC6A2SLC6A4
SCHEMBL5483072 0.86 SSTR5 (0.46) SSTR5HRH1KCNH2SSTR1SLC6A2
SCHEMBL5492473 0.85 SSTR5 (0.43) SSTR5HRH1SSTR1CA12CA1

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