SCHEMBL5483072

SCHEMBL5483072

CCOc1cc(CN(c2nc3cc(Cl)c(S(N)(=O)=O)cc3o2)C2CCNCC2)cc(OCC)c1-n1cccc1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 7/20 0.46
HRH1 P35367 5/20 0.46
DHFR P00374 1/20 0.33
KCNH2 Q12809 1/20 0.32
SSTR1 P30872 1/20 0.32
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 1/20 0.31
ALK Q9UM73 1/20 0.30

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
SCHEMBL5484170 0.89 SSTR5 (0.56) SSTR5HRH1KCNH2SSTR1CA12
SCHEMBL1380597 0.87 SSTR5 (0.48) SSTR5HRH1KCNH2SSTR1CA12
SCHEMBL1378217 0.87 SSTR5 (0.49) SSTR5HRH1DHFRKCNH2SSTR1
SCHEMBL5487222 0.87 SSTR5 (0.57) SSTR5HRH1KCNH2SLC6A2SLC6A4
SCHEMBL5486591 0.86 SSTR5 (0.43) SSTR5HRH1KCNH2SLC6A2SLC6A4
SCHEMBL5483662 0.86 SSTR5 (0.47) SSTR5HRH1KCNH2SSTR1CA12
SCHEMBL5485881 0.86 SSTR5 (0.49) SSTR5HRH1KCNH2SSTR1CA12
SCHEMBL5485765 0.85 SSTR5 (0.57) SSTR5HRH1KCNH2SSTR1CA12
SCHEMBL5492473 0.85 SSTR5 (0.43) SSTR5HRH1SSTR1CA12CA1
SCHEMBL5484816 0.85 SSTR5 (0.48) SSTR5HRH1KCNH2SSTR1CA12

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