SCHEMBL6516504

SCHEMBL6516504

N#C[C@@H]1CC[C@H](C#N)N1C(=O)CCl

nearest known ligand 0.54

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 20/20 0.54

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
SCHEMBL4705887 0.91 DPP4 (0.60) DPP4
SCHEMBL4703476 0.91 DPP4 (0.60) DPP4
SCHEMBL646823 0.91 DPP4 (0.60) DPP4
SCHEMBL4983693 0.91 DPP4 (0.60) DPP4
SCHEMBL4703477 0.91 DPP4 (0.60) DPP4
SCHEMBL647079 0.88 DPP4 (0.62) DPP4
SCHEMBL6201514 0.88 DPP4 (0.62) DPP4
SCHEMBL6204327 0.87 DPP4 (0.60) DPP4
SCHEMBL648829 0.87 DPP4 (0.60) DPP4
SCHEMBL7859743 0.79 DPP4 (0.54) 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-2005095339-A1 DICYANOPYRROLIDINES AS DIPEPTIDYL PEPTIDASE IV INHIBITORS PFIZER PRODUCTS INC. (US) 2005-10-13 WO disclosed