SCHEMBL1122193

SCHEMBL1122193

CCOc1cc(CN2CCC(Nc3nc4cc(OC(=O)OC)ccc4o3)CC2)cc(OCC)c1-n1cncn1

nearest known ligand 0.58

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 20/20 0.58
SSTR1 P30872 3/20 0.58
KCNH2 Q12809 3/20 0.57
HRH1 P35367 5/20 0.54
HTR2B P41595 1/20 0.52

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
SCHEMBL1121614 0.94 SSTR5 (0.60) SSTR5SSTR1KCNH2HRH1HTR2B
SCHEMBL1121390 0.89 SSTR5 (0.65) SSTR5SSTR1KCNH2HRH1HTR2B
SCHEMBL1121454 0.88 SSTR5 (0.58) SSTR5SSTR1KCNH2HRH1HTR2B
SCHEMBL1121611 0.88 SSTR5 (0.75) SSTR5SSTR1KCNH2HRH1HTR2B
SCHEMBL1121288 0.87 SSTR5 (0.61) SSTR5SSTR1KCNH2HRH1HTR2B
SCHEMBL1121733 0.87 SSTR5 (0.70) SSTR5SSTR1KCNH2HRH1HTR2B
SCHEMBL1121659 0.87 SSTR5 (0.76) SSTR5SSTR1KCNH2HRH1HTR2B
SCHEMBL1121812 0.87 SSTR5 (0.75) SSTR5SSTR1KCNH2HRH1HTR2B
SCHEMBL4726378 0.85 SSTR5 (0.73) SSTR5HRH1HTR2B
SCHEMBL3572121 0.84 SSTR5 (0.56) SSTR5SSTR1KCNH2HRH1HTR2B

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