SCHEMBL4948141

SCHEMBL4948141

CCOc1cc(CN2CCC(Nc3nc4cc([N+](=O)[O-])ccc4o3)CC2)cc(OCC)c1.O=[N+]([O-])c1ccc2oc(NC3CCNCC3)nc2c1

nearest known ligand 0.69

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 20/20 0.69
HRH1 P35367 5/20 0.60
HTR2B P41595 1/20 0.57
SSTR1 P30872 2/20 0.55
KCNH2 Q12809 3/20 0.52

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
SCHEMBL3568958 0.95 SSTR5 (0.75) SSTR5HRH1HTR2BSSTR1KCNH2
SCHEMBL4956546 0.90 SSTR5 (0.73) SSTR5HRH1SSTR1KCNH2
SCHEMBL4952835 0.88 SSTR5 (0.77) SSTR5HRH1HTR2BSSTR1KCNH2
SCHEMBL4949587 0.88 SSTR5 (0.72) SSTR5HRH1HTR2BSSTR1KCNH2
SCHEMBL4950476 0.87 SSTR5 (0.76) SSTR5HRH1HTR2BSSTR1KCNH2
SCHEMBL4954309 0.87 SSTR5 (0.91) SSTR5HRH1HTR2BSSTR1KCNH2
SCHEMBL4955606 0.87 SSTR5 (0.76) SSTR5HRH1HTR2BSSTR1KCNH2
SCHEMBL4952224 0.87 SSTR5 (0.78) SSTR5HRH1HTR2BSSTR1KCNH2
SCHEMBL4949004 0.85 SSTR5 (0.78) SSTR5HRH1HTR2BSSTR1KCNH2
SCHEMBL3575453 0.85 SSTR5 (0.80) SSTR5HRH1SSTR1KCNH2

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