SCHEMBL6109501

SCHEMBL6109501

CC(C)Cn1c(CN(C(=O)O)C(C)(C)C)c(-c2cccc(F)c2)c2cc(OS(=O)(=O)C(F)(F)F)ccc2c1=O

nearest known ligand 0.46

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 18/20 0.46
KCNA5 P22460 2/20 0.42
KCNH2 Q12809 2/20 0.42

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
SCHEMBL6109750 0.91 DPP4 (0.46) DPP4
SCHEMBL6107920 0.89 DPP4 (0.54) DPP4
SCHEMBL6109503 0.88 DPP4 (0.53) DPP4
SCHEMBL6109828 0.88 DPP4 (0.50) DPP4KCNA5KCNH2
SCHEMBL6108232 0.88 DPP4 (0.62) DPP4KCNA5KCNH2
SCHEMBL6108716 0.87 DPP4 (0.47) DPP4
SCHEMBL6109442 0.87 DPP4 (0.56) DPP4
SCHEMBL6108638 0.86 DPP4 (0.45) DPP4
SCHEMBL6700296 0.85 DPP4 (0.47) DPP4KCNA5KCNH2
SCHEMBL5236927 0.85 KCNA5 (0.44) DPP4KCNA5KCNH2

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
US-7034039-B2 Fused heterocyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-04-25 US disclosed