SCHEMBL13866950

SCHEMBL13866950

C=CCn1c(=O)n(CC#CC)c2c(N3CCNCC3)nc(Oc3ccccc3C(N)=O)nc21

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 18/20 0.38
FAP Q12884 5/20 0.36
DPP9 Q86TI2 1/20 0.34
HTR3A P46098 1/20 0.33
CHRM1 P11229 1/20 0.33

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 SCHEMBL3877567 0.95 DPP4 (0.37) DPP4FAPDPP9CHRM1
SCHEMBL13875757 0.90 P2RX3 (0.36) HTR3A
SCHEMBL13866857 0.89 DPP4 (0.49) DPP4FAPDPP9CHRM1
SCHEMBL3877571 0.85 DPP4 (0.37) DPP4FAPDPP9HTR3ACHRM1
Trifluoroacetic Acid SCHEMBL3874825 0.84 DPP4 (0.46) DPP4FAPDPP9CHRM1
SCHEMBL13866918 0.81 DPP4 (0.44) DPP4FAPDPP9HTR3A
SCHEMBL13866946 0.80 DPP4 (0.43) DPP4FAPDPP9HTR3ACHRM1
Trifluoroacetic Acid SCHEMBL3875531 0.78 DPP4 (0.39) DPP4FAPDPP9CHRM1
Trifluoroacetic Acid SCHEMBL3875625 0.77 DPP4 (0.38) DPP4FAPDPP9
SCHEMBL13867092 0.76 DPP4 (0.42) 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
US-7524847-B2 Fused 1,3-dihydro-imidazole ring compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-04-28 US disclosed