SCHEMBL4952095

SCHEMBL4952095

CCOc1cc(CN2CCC(N(c3nc4cc(OC(F)(F)F)ccc4o3)N(c3nc4cc(OC(F)(F)F)ccc4o3)C3CCNCC3)CC2)cc(OCC)c1F

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 19/20 0.54
KCNH2 Q12809 1/20 0.46
HRH1 P35367 3/20 0.39
SSTR1 P30872 2/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.37

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
SCHEMBL4955765 0.90 SSTR5 (0.67) SSTR5KCNH2HRH1SSTR1
SCHEMBL4953000 0.90 SSTR5 (0.55) SSTR5KCNH2HRH1SSTR1
SCHEMBL4952086 0.82 SSTR5 (0.58) SSTR5KCNH2HRH1SSTR1
SCHEMBL4955513 0.80 SSTR5 (0.50) SSTR5KCNH2HRH1
SCHEMBL3583382 0.80 SSTR5 (0.81) SSTR5KCNH2HRH1SSTR1
SCHEMBL4952100 0.79 SSTR5 (0.48) SSTR5KCNH2HRH1SSTR1PTGDR2
SCHEMBL4955256 0.79 SSTR5 (0.62) SSTR5KCNH2HRH1SSTR1
SCHEMBL4946989 0.75 SSTR5 (0.52) SSTR5KCNH2HRH1SSTR1
SCHEMBL4232220 0.75 SSTR5 (0.46) SSTR5KCNH2HRH1
SCHEMBL4955759 0.73 SSTR5 (0.72) SSTR5KCNH2HRH1SSTR1

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-1858901-B1 BENZOTHIAZOLE, THIAZOLOPYRIDINE, BENZOOXAZOLE AND OXAZOLOPYRIDINE DERIVATIVES AS ANTIDIABETIC COMPOUNDS HOFFMANN LA ROCHE (CH) 2008-11-05 EP disclosed