SCHEMBL5719635

SCHEMBL5719635

CC#CCn1c(N2CCNCC2)nc2c1c(=O)n(CCOc1ccccc1)c(=O)n2CC(=O)O

nearest known ligand 0.61

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 19/20 0.61
FAP Q12884 5/20 0.57
DPP9 Q86TI2 1/20 0.53
CHRM1 P11229 2/20 0.48
HTR2C P28335 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
SCHEMBL5719108 0.92 DPP4 (0.57) DPP4FAPDPP9CHRM1
Hydrochloric Acid SCHEMBL5719320 0.91 DPP4 (0.56) DPP4FAPDPP9CHRM1
SCHEMBL5719055 0.90 DPP4 (0.74) DPP4FAPDPP9
Trifluoroacetic Acid SCHEMBL5719377 0.87 DPP4 (0.60) DPP4FAPDPP9
Trifluoroacetic Acid SCHEMBL5719285 0.87 DPP4 (0.66) DPP4FAPDPP9CHRM1
Hydrochloric Acid SCHEMBL5718883 0.87 DPP4 (0.67) DPP4FAPDPP9CHRM1
Hydrochloric Acid SCHEMBL6383664 0.87 DPP4 (0.58) DPP4FAPDPP9CHRM1HTR2C
Hydrochloric Acid SCHEMBL5776187 0.85 DPP4 (0.58) DPP4FAPDPP9HTR2C
SCHEMBL5719799 0.84 DPP4 (0.59) DPP4FAPDPP9CHRM1
SCHEMBL5790806 0.84 DPP4 (0.51) DPP4FAPDPP9HTR2C

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