SCHEMBL13338124

SCHEMBL13338124

CC1CCCN(c2ncc(F)c(=O)n2Cc2ccccc2C#N)C1

nearest known ligand 0.81

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 20/20 0.81
DPP8 Q6V1X1 3/20 0.61

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
SCHEMBL204349 0.90 DPP4 (1.00) DPP4DPP8
SCHEMBL27875485 0.90 DPP4 (1.00) DPP4DPP8
SCHEMBL204350 0.90 DPP4 (1.00) DPP4DPP8
Cadaverine Tartrate SCHEMBL4215175 0.83 DPP4 (0.85) DPP4DPP8
Cadaverine Tartrate SCHEMBL4215177 0.83 DPP4 (0.85) DPP4DPP8
SCHEMBL13489712 0.81 DPP4 (0.84) DPP4DPP8
SCHEMBL3394182 0.80 DPP4 (0.68) DPP4DPP8
SCHEMBL3394183 0.80 DPP4 (0.68) DPP4DPP8
SCHEMBL18851694 0.80 DPP4 (0.68) DPP4
SCHEMBL3390924 0.80 DPP4 (1.00) DPP4DPP8

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-7723344-B2 Dipeptidyl peptidase inhibitors TAKEDA SAN DIEGO, INC. (US) 2010-05-25 US disclosed