SCHEMBL13866944

SCHEMBL13866944

C=Cc1ccc(-n2c(=O)n(CC#CC)c3c(N4CCNCC4)nc(OC)nc32)cc1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 17/20 0.40
FAP Q12884 6/20 0.38
DPP9 Q86TI2 1/20 0.36
ALDH1A1 P00352 2/20 0.33
CYP1A2 P05177 2/20 0.33
CASP1 P29466 2/20 0.33
CASP7 P55210 2/20 0.33
CYP2C9 P11712 1/20 0.33
HSD17B10 Q99714 1/20 0.33
USP2 O75604 1/20 0.33
CYP3A4 P08684 1/20 0.33
CHRM1 P11229 1/20 0.32

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 SCHEMBL3874472 0.93 DPP4 (0.36) DPP4FAPDPP9
SCHEMBL13866930 0.89 DPP4 (0.47) DPP4FAPDPP9ALDH1A1CYP1A2
SCHEMBL13866939 0.84 DPP4 (0.42) DPP4FAPDPP9CHRM1
SCHEMBL13866936 0.84 DPP4 (0.40) DPP4FAPDPP9CHRM1
SCHEMBL13866934 0.83 DPP4 (0.41) DPP4FAPDPP9CHRM1
Trifluoroacetic Acid SCHEMBL3878348 0.83 DPP4 (0.42) DPP4FAPDPP9CHRM1
SCHEMBL13866916 0.81 DPP4 (0.49) DPP4FAPDPP9CHRM1
SCHEMBL13866918 0.81 DPP4 (0.44) DPP4FAPDPP9
SCHEMBL13866841 0.81 DPP4 (0.59) DPP4FAPDPP9CHRM1
SCHEMBL13866907 0.80 CYP1A2 (0.42) DPP4FAPDPP9ALDH1A1CYP1A2

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