SCHEMBL6511158

SCHEMBL6511158

N#Cc1ccc(F)cc1Cc1nc(N2CCC[C@@H](N)C2)[nH]c(=O)c1Cl

nearest known ligand 0.56

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 20/20 0.56
KCNH2 Q12809 1/20 0.48
FAP Q12884 1/20 0.48

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
SCHEMBL6507784 0.90 DPP4 (0.59) DPP4KCNH2FAP
SCHEMBL6508227 0.85 DPP4 (0.54) DPP4
SCHEMBL5304451 0.80 DPP4 (0.52) DPP4
SCHEMBL3586029 0.77 DPP4 (0.56) DPP4
SCHEMBL5034640 0.76 DPP4 (0.52) DPP4
SCHEMBL3586023 0.76 DPP4 (0.47) DPP4
SCHEMBL987568 0.73 DPP4 (0.59) DPP4KCNH2FAP
SCHEMBL6426896 0.72 DPP4 (0.55) DPP4
SCHEMBL8774874 0.72 DPP4 (0.77) DPP4
SCHEMBL3392455 0.71 DPP4 (1.00) 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
WO-2005016911-A1 4-PYRIMIDONE DERIVATIVES AND THEIR USE AS PEPTIDYL PEPTIDASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-02-24 WO disclosed