SCHEMBL6108232

SCHEMBL6108232

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

nearest known ligand 0.62

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 19/20 0.62
KCNA5 P22460 1/20 0.41
KCNH2 Q12809 1/20 0.41

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
SCHEMBL6108281 0.92 DPP4 (0.73) DPP4
SCHEMBL6109674 0.91 DPP4 (0.63) DPP4
SCHEMBL6109828 0.89 DPP4 (0.50) DPP4KCNA5KCNH2
SCHEMBL6107421 0.89 DPP4 (0.75) DPP4
SCHEMBL6109501 0.88 DPP4 (0.46) DPP4KCNA5KCNH2
SCHEMBL6106415 0.87 DPP4 (0.74) DPP4
SCHEMBL6106615 0.87 DPP4 (0.59) DPP4
SCHEMBL6106955 0.87 DPP4 (0.63) DPP4
SCHEMBL6109442 0.85 DPP4 (0.56) DPP4
Hydrochloric Acid SCHEMBL5235189 0.85 DPP4 (0.82) DPP4

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