SCHEMBL13875672

SCHEMBL13875672

C=CCOc1nc(N2CCNCC2)c2[nH]c(=O)n(C)c2n1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38
DPP4 P27487 1/20 0.36
POLB P06746 2/20 0.36
ALDH1A1 P00352 2/20 0.36
SIRT5 Q9NXA8 1/20 0.36
TLR7 Q9NYK1 9/20 0.33
GAA P10253 1/20 0.33
CHRNB2 P17787 1/20 0.33
ADRA1D P25100 1/20 0.33
HTR1E P28566 1/20 0.33
CHRNA3 P32297 1/20 0.33
ADRA1A P35348 1/20 0.33
ADRA1B P35368 1/20 0.33
OPRM1 P35372 1/20 0.33
OPRK1 P41145 1/20 0.33
TLR8 Q9NR97 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
SCHEMBL13875849 0.86 DPP4 (0.39) DPP4POLBSIRT5TLR7CHRNB2
SCHEMBL13875671 0.82 DPP4 (0.38) MAPTDPP4POLBALDH1A1SIRT5
SCHEMBL13876102 0.80 DPP4 (0.53) MAPTMAPK1DPP4POLBALDH1A1
SCHEMBL13875846 0.79 TLR7 (0.41) DPP4POLBALDH1A1SIRT5TLR7
SCHEMBL13875685 0.78 TLR7 (0.40) TLR7TLR8
SCHEMBL13876297 0.76 DPP4 (0.45) MAPK1DPP4POLBALDH1A1SIRT5
SCHEMBL13876124 0.76 HTR3A (0.37) MAPTALDH1A1TLR7GAATLR8
SCHEMBL13875841 0.75 DPP4 (0.38) DPP4POLBALDH1A1SIRT5TLR7
SCHEMBL13875751 0.74 HRH4 (0.51) DPP4POLBALDH1A1SIRT5CHRNB2
SCHEMBL13866874 0.74 DPP4 (0.42) DPP4POLBALDH1A1SIRT5CHRNB2

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