SCHEMBL4820099

SCHEMBL4820099

CCCN(CC(=O)N1CCC[C@H]1C#N)C(C)(C)CCn1nc(-c2cnccn2)nc1C

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PREP P48147 13/20 0.38
DPP4 P27487 5/20 0.36
DPP8 Q6V1X1 3/20 0.36
DPP9 Q86TI2 3/20 0.36
FAP Q12884 1/20 0.36
DPP7 Q9UHL4 1/20 0.35

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
SCHEMBL4603591 0.82 DPP4 (0.50) PREPDPP4DPP8DPP9FAP
SCHEMBL666620 0.82 DPP4 (0.50) PREPDPP4DPP8DPP9FAP
SCHEMBL666210 0.69 DPP4 (0.53) DPP4DPP8DPP9FAPDPP7
SCHEMBL4604986 0.69 DPP4 (0.51) DPP4DPP8DPP9FAP
SCHEMBL666768 0.69 DPP4 (0.51) DPP4DPP8DPP9FAP
SCHEMBL666762 0.60 DPP4 (0.55) DPP4DPP8DPP9FAPDPP7
SCHEMBL4603612 0.60 DPP4 (0.55) DPP4DPP8DPP9FAPDPP7
SCHEMBL4603345 0.60 DPP4 (0.53) DPP4DPP8DPP9DPP7
SCHEMBL666318 0.60 DPP4 (0.53) DPP4DPP8DPP9DPP7
SCHEMBL4604153 0.59 DPP4 (0.58) DPP4DPP8DPP9FAPDPP7

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-7314884-B2 non-insulin dependent diabetes mellitus, and impaired glucose tolerance; dipeptidyl peptidase IV (DPP-IV) inhibitors eg (2S)-1-{[(1S)-2-(5-cyano-2-methyl-indol-1-yl)-1-methyl-ethylamino]-acetyl}-pyrrolidine-2-carbonitrile HOFFMANN-LA ROCHE INC. (US) 2008-01-01 US disclosed