SCHEMBL4945387

SCHEMBL4945387

CCOc1cc(CN2CCC(Nc3nc4cccc(C(=O)O)c4o3)CC2)cc2[nH]ccc12

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 20/20 0.55
SSTR1 P30872 2/20 0.54
HRH1 P35367 4/20 0.50
HTR2B P41595 2/20 0.50
KCNH2 Q12809 1/20 0.50

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
SCHEMBL3575532 0.93 SSTR5 (0.56) SSTR5SSTR1HRH1HTR2BKCNH2
SCHEMBL3571138 0.85 SSTR5 (0.71) SSTR5SSTR1HRH1HTR2BKCNH2
SCHEMBL3583358 0.84 SSTR5 (0.74) SSTR5HRH1HTR2B
SCHEMBL3580849 0.84 SSTR5 (0.71) SSTR5SSTR1HRH1HTR2BKCNH2
SCHEMBL3571483 0.84 SSTR5 (0.71) SSTR5SSTR1HRH1HTR2BKCNH2
SCHEMBL3569623 0.84 SSTR5 (0.71) SSTR5SSTR1HRH1HTR2B
SCHEMBL3583899 0.81 SSTR5 (0.58) SSTR5SSTR1HRH1HTR2BKCNH2
SCHEMBL3579228 0.80 SSTR5 (0.69) SSTR5SSTR1HRH1HTR2BKCNH2
SCHEMBL3577223 0.78 SSTR5 (0.78) SSTR5SSTR1HRH1KCNH2
SCHEMBL3578460 0.78 SSTR5 (0.70) SSTR5SSTR1HRH1HTR2BKCNH2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1858901-B1 BENZOTHIAZOLE, THIAZOLOPYRIDINE, BENZOOXAZOLE AND OXAZOLOPYRIDINE DERIVATIVES AS ANTIDIABETIC COMPOUNDS HOFFMANN LA ROCHE (CH) 2008-11-05 EP disclosed
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