SCHEMBL1121846

SCHEMBL1121846

CCOc1cc(CN2CCC(Nc3nc4ccc(OC(=O)OC)cc4o3)CC2)cc2c1OC(C)(C)C=C2

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 20/20 0.56
SSTR1 P30872 2/20 0.51
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
SCHEMBL1121722 0.94 SSTR5 (0.58) SSTR5SSTR1HRH1HTR2BKCNH2
SCHEMBL1121603 0.89 SSTR5 (0.63) SSTR5SSTR1HRH1HTR2BKCNH2
SCHEMBL1121156 0.88 SSTR5 (0.72) SSTR5SSTR1HRH1HTR2BKCNH2
SCHEMBL3568483 0.86 SSTR5 (0.70) SSTR5HRH1HTR2B
SCHEMBL1121641 0.85 SSTR5 (0.71) SSTR5SSTR1HRH1HTR2BKCNH2
SCHEMBL1121523 0.85 SSTR5 (0.76) SSTR5SSTR1HRH1HTR2BKCNH2
SCHEMBL1121621 0.85 SSTR5 (0.63) SSTR5SSTR1HRH1HTR2BKCNH2
SCHEMBL1121540 0.84 SSTR5 (0.67) SSTR5SSTR1HRH1HTR2BKCNH2
SCHEMBL1121794 0.83 SSTR5 (0.72) SSTR5HRH1HTR2BKCNH2
SCHEMBL1121613 0.83 SSTR5 (0.71) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1924579-B1 BENZOOXAZOLE, OXAZOLOPYRIDINE, BENZOTHIAZOLE AND THIAZOLOPYRIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2011-02-09 EP claimed