SCHEMBL4952086

SCHEMBL4952086

CCOc1cc(CN2CCC(N(c3nc4cc(OC(F)(F)F)ccc4o3)C3CCN(Nc4nc5cc(OC(F)(F)F)ccc5o4)CC3)CC2)cc(OCC)c1F

nearest known ligand 0.58

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 20/20 0.58
KCNH2 Q12809 1/20 0.51
HRH1 P35367 5/20 0.44
SSTR1 P30872 3/20 0.43
HTR2B P41595 1/20 0.40

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
SCHEMBL4952997 0.91 SSTR5 (0.60) SSTR5KCNH2HRH1SSTR1HTR2B
SCHEMBL4955759 0.91 SSTR5 (0.72) SSTR5KCNH2HRH1SSTR1HTR2B
SCHEMBL3583382 0.83 SSTR5 (0.81) SSTR5KCNH2HRH1SSTR1HTR2B
SCHEMBL4952095 0.82 SSTR5 (0.54) SSTR5KCNH2HRH1SSTR1
SCHEMBL4952100 0.77 SSTR5 (0.48) SSTR5KCNH2HRH1SSTR1
SCHEMBL1121490 0.74 SSTR5 (0.77) SSTR5KCNH2HRH1SSTR1HTR2B
SCHEMBL3578792 0.74 SSTR5 (1.00) SSTR5KCNH2HRH1SSTR1HTR2B
SCHEMBL3580190 0.74 SSTR5 (0.83) SSTR5KCNH2HRH1SSTR1HTR2B
SCHEMBL4953000 0.73 SSTR5 (0.55) SSTR5KCNH2HRH1SSTR1HTR2B
SCHEMBL4955765 0.73 SSTR5 (0.67) SSTR5KCNH2HRH1SSTR1HTR2B

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