SCHEMBL1121670

SCHEMBL1121670

CCOc1cc(CN2CCC(Nc3nc4c(C(=O)OCC(N)=O)cccc4o3)CC2)ccc1OC

nearest known ligand 0.65

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 20/20 0.65
HRH1 P35367 5/20 0.65
HTR2B P41595 1/20 0.65
KCNH2 Q12809 2/20 0.59
SSTR1 P30872 1/20 0.57

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
SCHEMBL1121287 0.93 SSTR5 (0.71) SSTR5HRH1HTR2BKCNH2SSTR1
SCHEMBL1121534 0.91 SSTR5 (0.64) SSTR5HRH1HTR2BKCNH2SSTR1
SCHEMBL1121577 0.90 SSTR5 (0.57) SSTR5HRH1HTR2BKCNH2SSTR1
SCHEMBL1121425 0.90 SSTR5 (0.71) SSTR5HRH1HTR2BKCNH2SSTR1
SCHEMBL1121266 0.85 SSTR5 (0.65) SSTR5HRH1HTR2BKCNH2SSTR1
SCHEMBL1121303 0.85 SSTR5 (0.65) SSTR5HRH1HTR2BKCNH2SSTR1
SCHEMBL1121250 0.85 SSTR5 (0.65) SSTR5HRH1HTR2BKCNH2SSTR1
SCHEMBL1121732 0.84 SSTR5 (0.70) SSTR5HRH1HTR2BKCNH2SSTR1
SCHEMBL1121957 0.84 SSTR5 (0.70) SSTR5HRH1HTR2BKCNH2SSTR1
SCHEMBL1121265 0.83 SSTR5 (0.75) SSTR5HRH1HTR2BKCNH2

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 disclosed