SCHEMBL4949004

SCHEMBL4949004

CCOc1cc(CN2CCC(Nc3nc4cc([N+](=O)[O-])ccc4o3)CC2)ccc1OC(C)C.O=[N+]([O-])c1ccc2oc(NC3CCNCC3)nc2c1

nearest known ligand 0.78

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 20/20 0.78
KCNH2 Q12809 2/20 0.59
HRH1 P35367 7/20 0.59
HTR2B P41595 2/20 0.57
SSTR1 P30872 2/20 0.54

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
SCHEMBL3578353 0.96 SSTR5 (0.84) SSTR5KCNH2HRH1HTR2BSSTR1
SCHEMBL4954309 0.92 SSTR5 (0.91) SSTR5KCNH2HRH1HTR2BSSTR1
SCHEMBL4952835 0.90 SSTR5 (0.77) SSTR5KCNH2HRH1HTR2BSSTR1
SCHEMBL4955606 0.89 SSTR5 (0.76) SSTR5KCNH2HRH1HTR2BSSTR1
SCHEMBL4950476 0.89 SSTR5 (0.76) SSTR5KCNH2HRH1HTR2BSSTR1
SCHEMBL4956546 0.88 SSTR5 (0.73) SSTR5KCNH2HRH1SSTR1
SCHEMBL3577672 0.88 SSTR5 (1.00) SSTR5KCNH2HRH1HTR2BSSTR1
SCHEMBL4949587 0.87 SSTR5 (0.72) SSTR5KCNH2HRH1HTR2BSSTR1
SCHEMBL4952542 0.87 SSTR5 (0.81) SSTR5KCNH2HRH1HTR2BSSTR1
SCHEMBL3577798 0.86 SSTR5 (0.85) SSTR5KCNH2HRH1HTR2BSSTR1

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 1 patent. 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