SCHEMBL13875671

SCHEMBL13875671

COc1nc(N2CCNCC2)c2[nH]c(=O)n(C)c2n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.38
POLB P06746 1/20 0.38
SIRT5 Q9NXA8 1/20 0.38
CHRNB2 P17787 1/20 0.38
ADRA1D P25100 1/20 0.38
HTR1E P28566 1/20 0.38
CHRNA3 P32297 1/20 0.38
ADRA1A P35348 1/20 0.38
ADRA1B P35368 1/20 0.38
OPRM1 P35372 1/20 0.38
OPRK1 P41145 1/20 0.38
NPY5R Q15761 2/20 0.36
GAA P10253 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MAPT P10636 1/20 0.34
ALDH1A1 P00352 5/20 0.34
CYP1A2 P05177 5/20 0.34
CASP1 P29466 4/20 0.34
CASP7 P55210 4/20 0.34
HSD17B10 Q99714 4/20 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
SCHEMBL13875849 0.86 DPP4 (0.39) DPP4POLBSIRT5CHRNB2ADRA1D
SCHEMBL13875846 0.86 TLR7 (0.41) DPP4POLBSIRT5CHRNB2ADRA1D
SCHEMBL13876308 0.84 TLR7 (0.42)
SCHEMBL13875682 0.84 TLR7 (0.39)
SCHEMBL13876297 0.82 DPP4 (0.45) DPP4POLBSIRT5NPY5RALDH1A1
SCHEMBL13875672 0.82 MAPT (0.38) DPP4POLBSIRT5CHRNB2ADRA1D
SCHEMBL13875841 0.82 DPP4 (0.38) DPP4POLBSIRT5CHRNB2ADRA1D
SCHEMBL13875751 0.81 HRH4 (0.51) DPP4POLBSIRT5CHRNB2ADRA1D
SCHEMBL13866874 0.81 DPP4 (0.42) DPP4POLBSIRT5CHRNB2ADRA1D
SCHEMBL13875673 0.81 DPP4 (0.40) DPP4POLBSIRT5CHRNB2ADRA1D

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