SCHEMBL13866853

SCHEMBL13866853

CC#CCn1c(=O)n(C)c2nc(OCc3ccccc3)nc(N3CCNCC3)c21

nearest known ligand 0.62

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 17/20 0.62
FAP Q12884 7/20 0.53
DPP9 Q86TI2 1/20 0.50
PKM P14618 1/20 0.42
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42

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 SCHEMBL3888330 0.93 DPP4 (0.55) DPP4FAPDPP9
SCHEMBL13866854 0.87 DPP4 (0.57) DPP4FAPDPP9
SCHEMBL13866862 0.86 DPP4 (0.57) DPP4FAPDPP9
SCHEMBL13866851 0.86 DPP4 (0.57) DPP4FAPDPP9
SCHEMBL13866841 0.83 DPP4 (0.59) DPP4FAPDPP9
SCHEMBL13866863 0.83 DPP4 (0.61) DPP4FAPDPP9PKM
SCHEMBL13866858 0.82 DPP4 (0.53) DPP4FAPDPP9
Trifluoroacetic Acid SCHEMBL3874619 0.81 DPP4 (0.51) DPP4FAPDPP9
SCHEMBL13866847 0.81 DPP4 (0.56) DPP4FAPDPP9
SCHEMBL13866856 0.81 DPP4 (0.54) 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