SCHEMBL4956546

SCHEMBL4956546

CCOc1cc(CN2CCC(Nc3nc4cc([N+](=O)[O-])ccc4o3)CC2)cc(OCC)c1F.O=[N+]([O-])c1ccc2oc(NC3CCNCC3)nc2c1

nearest known ligand 0.73

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 20/20 0.73
KCNH2 Q12809 3/20 0.66
HRH1 P35367 4/20 0.59
SSTR1 P30872 2/20 0.59

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
SCHEMBL3575453 0.95 SSTR5 (0.80) SSTR5KCNH2HRH1SSTR1
SCHEMBL4950476 0.93 SSTR5 (0.76) SSTR5KCNH2HRH1SSTR1
SCHEMBL4952835 0.90 SSTR5 (0.77) SSTR5KCNH2HRH1SSTR1
SCHEMBL4948141 0.90 SSTR5 (0.69) SSTR5KCNH2HRH1SSTR1
SCHEMBL4949587 0.90 SSTR5 (0.72) SSTR5KCNH2HRH1SSTR1
SCHEMBL4955606 0.90 SSTR5 (0.76) SSTR5KCNH2HRH1SSTR1
SCHEMBL4954309 0.90 SSTR5 (0.91) SSTR5KCNH2HRH1SSTR1
SCHEMBL4949004 0.88 SSTR5 (0.78) SSTR5KCNH2HRH1SSTR1
SCHEMBL3580661 0.88 SSTR5 (0.83) SSTR5KCNH2HRH1SSTR1
SCHEMBL4952301 0.87 SSTR5 (0.73) SSTR5KCNH2HRH1SSTR1

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
CN-101137660-B Benzothiazole, thiazolopyridine, benzooxazole and oxazolopyridine derivatives as antidiabetic compounds HOFFMANN LA ROCHE 2011-06-15 CN disclosed
EP-1858901-B1 BENZOTHIAZOLE, THIAZOLOPYRIDINE, BENZOOXAZOLE AND OXAZOLOPYRIDINE DERIVATIVES AS ANTIDIABETIC COMPOUNDS HOFFMANN LA ROCHE (CH) 2008-11-05 EP disclosed
CN-101137660-A Benzothiazole, thiazolopyridine, benzooxazole and oxazolopyridine derivatives as antidiabetic compounds HOFFMANN LA ROCHE (CH) 2008-03-05 CN disclosed