SCHEMBL1121689

SCHEMBL1121689

CCOc1cc(CN2CCC(Nc3nc4c(OC(=O)OC)cccc4o3)CC2)cc(OCC)c1F

nearest known ligand 0.68

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 20/20 0.68
KCNH2 Q12809 1/20 0.63
HRH1 P35367 4/20 0.57
HTR2B P41595 2/20 0.55
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
SCHEMBL1121638 0.93 SSTR5 (0.69) SSTR5KCNH2HRH1HTR2BSSTR1
SCHEMBL1121633 0.90 SSTR5 (0.60) SSTR5KCNH2HRH1HTR2BSSTR1
SCHEMBL1121957 0.90 SSTR5 (0.70) SSTR5KCNH2HRH1HTR2BSSTR1
SCHEMBL1121600 0.89 SSTR5 (0.64) SSTR5KCNH2HRH1HTR2BSSTR1
SCHEMBL1121252 0.88 SSTR5 (0.69) SSTR5KCNH2HRH1HTR2BSSTR1
SCHEMBL1121253 0.87 SSTR5 (0.70) SSTR5KCNH2HRH1HTR2BSSTR1
SCHEMBL1121991 0.86 SSTR5 (0.71) SSTR5KCNH2HRH1HTR2BSSTR1
SCHEMBL1121581 0.85 SSTR5 (0.59) SSTR5KCNH2HRH1HTR2BSSTR1
SCHEMBL1121187 0.85 SSTR5 (0.75) SSTR5KCNH2HRH1HTR2BSSTR1
SCHEMBL1121366 0.85 SSTR5 (0.75) 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-1924579-B1 BENZOOXAZOLE, OXAZOLOPYRIDINE, BENZOTHIAZOLE AND THIAZOLOPYRIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2011-02-09 EP claimed