SCHEMBL13866993

SCHEMBL13866993

C=CCn1c(=O)n(CC#CC)c2c(N3CCNCC3)ncnc21

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 13/20 0.44
ADORA2B P29275 3/20 0.39
FAP Q12884 5/20 0.38
HTR2C P28335 1/20 0.37
DPP9 Q86TI2 1/20 0.35
ADORA2A P29274 2/20 0.35
HTR3A P46098 1/20 0.34
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34
TLR7 Q9NYK1 1/20 0.34

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 SCHEMBL3873547 0.92 DPP4 (0.38) DPP4ADORA2BFAPHTR2CDPP9
SCHEMBL13875686 0.86 HTR2C (0.43) ADORA2BHTR2CADORA2AHTR3APDE4A
SCHEMBL13867003 0.86 DPP4 (0.44) DPP4FAPHTR2CDPP9
SCHEMBL13866997 0.85 DPP4 (0.45) DPP4ADORA2BFAPHTR2CDPP9
SCHEMBL13867026 0.85 DPP4 (0.56) DPP4FAPHTR2CDPP9TLR7
SCHEMBL13867002 0.83 DPP4 (0.43) DPP4FAPHTR2CDPP9
SCHEMBL13866946 0.82 DPP4 (0.43) DPP4ADORA2BFAPDPP9HTR3A
SCHEMBL13867010 0.81 DPP4 (0.53) DPP4FAPDPP9HTR3A
SCHEMBL13866918 0.81 DPP4 (0.44) DPP4FAPDPP9HTR3A
SCHEMBL13867007 0.80 DPP4 (0.49) 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