SCHEMBL5489347

SCHEMBL5489347

CCOc1cc(O)c(CN(c2nc3cc(S(N)(=O)=O)ccc3o2)C2CCNCC2)cc1OCC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 6/20 0.42
HRH1 P35367 3/20 0.42
KCNH2 Q12809 2/20 0.42
SSTR1 P30872 1/20 0.42
CTSL P07711 1/20 0.38
CTSB P07858 1/20 0.38
CTSS P25774 1/20 0.38
CTSK P43235 1/20 0.38
SLC6A2 P23975 2/20 0.35
SLC6A4 P31645 2/20 0.35
SLC6A3 Q01959 1/20 0.35
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
IKBKB O14920 1/20 0.33
CHUK O15111 1/20 0.33
MAPT P10636 2/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 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
SCHEMBL5486784 0.92 SSTR5 (0.40) SSTR5HRH1KCNH2SSTR1CTSL
SCHEMBL5489141 0.89 SSTR5 (0.47) SSTR5HRH1KCNH2SSTR1CTSL
SCHEMBL5482380 0.88 SSTR5 (0.50) SSTR5HRH1KCNH2SSTR1CTSL
SCHEMBL5479567 0.87 SSTR5 (0.40) SSTR5HRH1KCNH2SSTR1CTSL
SCHEMBL5489076 0.87 SSTR5 (0.46) SSTR5HRH1KCNH2SSTR1CTSL
SCHEMBL1381121 0.86 SSTR5 (0.54) SSTR5HRH1KCNH2SSTR1CTSL
SCHEMBL5486891 0.86 SSTR5 (0.42) SSTR5HRH1KCNH2SSTR1CTSL
SCHEMBL1379151 0.85 SSTR5 (0.56) SSTR5HRH1KCNH2SSTR1CTSL
SCHEMBL1380432 0.85 SSTR5 (0.45) SSTR5HRH1KCNH2SSTR1CTSL
SCHEMBL1379344 0.85 SSTR5 (0.45) SSTR5HRH1KCNH2SSTR1CTSL

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