SCHEMBL13866892

SCHEMBL13866892

CC#CCn1c(=O)n(CCCC#N)c2nc(Cl)nc(N3CCNCC3)c21

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 18/20 0.47
FAP Q12884 6/20 0.39
ALDH1A1 P00352 2/20 0.36
CYP1A2 P05177 2/20 0.36
HPGD P15428 2/20 0.36
CASP1 P29466 2/20 0.36
CASP7 P55210 2/20 0.36
HSD17B10 Q99714 2/20 0.36
MEN1 O00255 1/20 0.36
CYP2C9 P11712 1/20 0.36
KMT2A Q03164 1/20 0.36
DPP9 Q86TI2 1/20 0.36
KCNH2 Q12809 3/20 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
Trifluoroacetic Acid SCHEMBL3879206 0.92 DPP4 (0.41) DPP4FAPDPP9KCNH2
SCHEMBL13866885 0.91 DPP4 (0.47) DPP4FAPDPP9KCNH2
SCHEMBL13866882 0.88 DPP4 (0.50) DPP4FAPDPP9KCNH2
SCHEMBL13866842 0.87 DPP4 (0.61) DPP4FAPDPP9
Trifluoroacetic Acid SCHEMBL3883168 0.83 DPP4 (0.41) DPP4FAPALDH1A1DPP9KCNH2
SCHEMBL13866893 0.83 DPP4 (0.45) DPP4FAPDPP9
SCHEMBL13866884 0.83 DPP4 (0.45) DPP4FAPDPP9
SCHEMBL13866888 0.82 DPP4 (0.45) DPP4FAPDPP9
SCHEMBL13866887 0.82 DPP4 (0.56) DPP4FAPALDH1A1CYP1A2HPGD
SCHEMBL13866891 0.82 DPP4 (0.60) DPP4FAPDPP9

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-7524847-B2 Fused 1,3-dihydro-imidazole ring compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-04-28 US disclosed