SCHEMBL6409653

SCHEMBL6409653

CC#CCn1c(N2CCNCC2)nc2nc(OC(C)C(OC(=O)C(F)(F)F)C(=O)OCC)n(C)c(=O)c21

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 20/20 0.46
FAP Q12884 5/20 0.38
DPP9 Q86TI2 1/20 0.36
CHRM1 P11229 2/20 0.36

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
SCHEMBL2954608 0.85 DPP4 (0.53) DPP4FAPDPP9CHRM1
SCHEMBL2952344 0.85 DPP4 (0.49) DPP4FAPDPP9CHRM1
Trifluoroacetic Acid SCHEMBL2967211 0.84 DPP4 (0.47) DPP4FAPDPP9CHRM1
SCHEMBL5271380 0.84 DPP4 (0.48) DPP4FAPDPP9CHRM1
SCHEMBL13200012 0.83 DPP4 (0.52) DPP4FAPDPP9CHRM1
Trifluoroacetic Acid SCHEMBL2965717 0.83 DPP4 (0.52) DPP4FAPDPP9CHRM1
Trifluoroacetic Acid SCHEMBL2958384 0.83 DPP4 (0.50) DPP4FAPDPP9CHRM1
Trifluoroacetic Acid SCHEMBL2952342 0.82 DPP4 (0.51) DPP4FAPDPP9CHRM1
Trifluoroacetic Acid SCHEMBL5271375 0.80 DPP4 (0.49) DPP4FAPDPP9CHRM1
SCHEMBL6381482 0.80 DPP4 (0.51) DPP4FAPDPP9CHRM1

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-1514552-A1 NOVEL FUSED IMIDAZOLE DERIVATIVE Eisai Co., Ltd. (JP) 2005-03-16 EP disclosed