SCHEMBL1121682

SCHEMBL1121682

CCOc1cc(CN2CCC(Nc3nc4ccc(OC(=O)O)cc4o3)CC2)cc(OCC)c1F

nearest known ligand 0.79

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 20/20 0.79
KCNH2 Q12809 1/20 0.69
SSTR1 P30872 2/20 0.60
HRH1 P35367 5/20 0.60
HTR2B P41595 2/20 0.56

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
SCHEMBL1121686 0.94 SSTR5 (0.76) SSTR5KCNH2SSTR1HRH1
SCHEMBL1121523 0.93 SSTR5 (0.76) SSTR5KCNH2SSTR1HRH1HTR2B
SCHEMBL1121826 0.92 SSTR5 (0.72) SSTR5KCNH2SSTR1HRH1HTR2B
SCHEMBL1121789 0.92 SSTR5 (0.72) SSTR5KCNH2SSTR1HRH1HTR2B
SCHEMBL1121815 0.91 SSTR5 (0.66) SSTR5KCNH2SSTR1HRH1HTR2B
SCHEMBL1121731 0.90 SSTR5 (0.73) SSTR5KCNH2SSTR1HRH1HTR2B
SCHEMBL1121572 0.90 SSTR5 (0.72) SSTR5KCNH2SSTR1HRH1HTR2B
SCHEMBL1122072 0.89 SSTR5 (0.80) SSTR5SSTR1HRH1HTR2B
SCHEMBL1121823 0.89 SSTR5 (0.72) SSTR5KCNH2SSTR1HRH1HTR2B
SCHEMBL1121157 0.89 SSTR5 (1.00) SSTR5KCNH2SSTR1HRH1HTR2B

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