SCHEMBL6108201

SCHEMBL6108201

CCCCOc1c(CN(C(=O)O)C(C)(C)C)n(CC(C)C)c(=O)c2ccc(N)cc12

nearest known ligand 0.39

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 20/20 0.39

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
SCHEMBL6106220 0.90 DPP4 (0.45) DPP4
SCHEMBL6108268 0.90 DPP4 (0.35) DPP4
SCHEMBL6108430 0.89 DPP4 (0.49) DPP4
SCHEMBL6108025 0.89 DPP4 (0.44) DPP4
SCHEMBL6107740 0.89 PGR (0.39) DPP4
SCHEMBL6107604 0.88 DPP4 (0.40) DPP4
SCHEMBL6108595 0.88 DPP4 (0.42) DPP4
SCHEMBL6109274 0.88 DPP4 (0.54) DPP4
SCHEMBL6107876 0.88 DPP4 (0.43) DPP4
SCHEMBL6106019 0.88 DPP4 (0.39) 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