SCHEMBL5719403

SCHEMBL5719403

CC#CCn1c(N2CCNCC2)nc2c1c(=O)n(C)c(=O)n2CC(=O)O

nearest known ligand 0.77

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 19/20 0.77
FAP Q12884 5/20 0.56
DPP9 Q86TI2 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.47
ALDH1A1 P00352 1/20 0.46

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
Trifluoroacetic Acid SCHEMBL6689940 0.94 DPP4 (0.69) DPP4FAPDPP9L3MBTL1
SCHEMBL5719456 0.92 DPP4 (0.77) DPP4FAPDPP9
SCHEMBL5719286 0.91 DPP4 (0.76) DPP4FAPDPP9L3MBTL1
SCHEMBL5719225 0.89 DPP4 (0.73) DPP4FAPDPP9L3MBTL1
SCHEMBL5718795 0.89 DPP4 (0.73) DPP4FAPDPP9L3MBTL1ALDH1A1
Trifluoroacetic Acid SCHEMBL5718973 0.88 DPP4 (0.74) DPP4FAPDPP9L3MBTL1ALDH1A1
SCHEMBL5719250 0.87 DPP4 (0.83) DPP4FAPDPP9L3MBTL1ALDH1A1
SCHEMBL5275960 0.87 DPP4 (1.00) DPP4FAPDPP9L3MBTL1ALDH1A1
Trifluoroacetic Acid SCHEMBL5719224 0.87 DPP4 (0.67) DPP4FAPDPP9L3MBTL1
SCHEMBL5719078 0.86 DPP4 (0.82) DPP4FAPDPP9L3MBTL1ALDH1A1

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
EP-1338595-B1 Xanthine derivatives as DPP-IV inhibitors EISAI CO LTD (JP) 2006-05-03 EP claimed