SCHEMBL13867010

SCHEMBL13867010

CC#CCn1c(=O)n(CCc2ccccc2)c2ncnc(N3CCNCC3)c21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 13/20 0.53
FAP Q12884 5/20 0.45
ALDH1A1 P00352 4/20 0.45
HSD17B10 Q99714 4/20 0.45
CYP1A2 P05177 3/20 0.45
CYP3A4 P08684 3/20 0.45
CYP2D6 P10635 3/20 0.45
CYP2C9 P11712 3/20 0.45
HPGD P15428 2/20 0.45
CASP1 P29466 2/20 0.45
CASP7 P55210 1/20 0.45
USP2 O75604 2/20 0.44
CYP2C19 P33261 2/20 0.44
MAPK1 P28482 2/20 0.43
TP53 P04637 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HIF1A Q16665 1/20 0.43
DPP9 Q86TI2 1/20 0.42
ABCC1 P33527 2/20 0.41
HTR3A P46098 1/20 0.41

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 SCHEMBL3875979 0.93 DPP4 (0.47) DPP4FAPALDH1A1HSD17B10CYP1A2
SCHEMBL13866997 0.85 DPP4 (0.45) DPP4FAPDPP9ABCC1
SCHEMBL13866887 0.85 DPP4 (0.56) DPP4FAPALDH1A1HSD17B10CYP1A2
SCHEMBL13867026 0.85 DPP4 (0.56) DPP4FAPDPP9
SCHEMBL13866963 0.84 DPP4 (0.48) DPP4FAPALDH1A1HSD17B10CYP1A2
SCHEMBL13866993 0.81 DPP4 (0.44) DPP4FAPDPP9HTR3A
SCHEMBL13867003 0.81 DPP4 (0.44) DPP4FAPDPP9
SCHEMBL13867007 0.81 DPP4 (0.49) DPP4FAPDPP9ABCC1
SCHEMBL13867042 0.81 DPP4 (0.56) DPP4FAPDPP9
SCHEMBL13867002 0.80 DPP4 (0.43) DPP4FAPDPP9ABCC1

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