SCHEMBL5485488

SCHEMBL5485488

CCOc1cc(CN(c2nc3cc(S(=O)(=O)N(C)C)ccc3o2)C2CCNCC2)ccc1OC

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 15/20 0.57
KCNH2 Q12809 2/20 0.47
HRH1 P35367 7/20 0.46
ALDH1A1 P00352 1/20 0.42
CRHBP P24387 1/20 0.42
CRHR2 Q13324 1/20 0.42
HDAC6 Q9UBN7 1/20 0.38
HTT P42858 1/20 0.38
SSTR1 P30872 2/20 0.38
PKM P14618 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
HTR2B P41595 1/20 0.37

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
SCHEMBL5486159 0.94 SSTR5 (0.49) SSTR5KCNH2HRH1ALDH1A1CRHBP
SCHEMBL5487219 0.94 SSTR5 (0.51) SSTR5KCNH2HRH1ALDH1A1CRHBP
SCHEMBL5483683 0.92 SSTR5 (0.49) SSTR5KCNH2HRH1ALDH1A1CRHBP
SCHEMBL5478929 0.92 SSTR5 (0.48) SSTR5KCNH2HRH1ALDH1A1CRHBP
SCHEMBL5486209 0.91 SSTR5 (0.47) SSTR5KCNH2HRH1ALDH1A1CRHBP
SCHEMBL1379151 0.91 SSTR5 (0.56) SSTR5KCNH2HRH1ALDH1A1HDAC6
SCHEMBL5479667 0.91 SSTR5 (0.47) SSTR5KCNH2HRH1ALDH1A1HTT
SCHEMBL5489244 0.91 SSTR5 (0.47) SSTR5KCNH2HRH1ALDH1A1HTT
SCHEMBL5484896 0.89 SSTR5 (0.46) SSTR5KCNH2HRH1ALDH1A1HTT
SCHEMBL5489122 0.89 SSTR5 (0.46) SSTR5KCNH2HRH1ALDH1A1HTT

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