SCHEMBL13875683

SCHEMBL13875683

COc1nc(N2CCNCC2)c2[nH]c(=O)n(-c3ccccc3)c2n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.53
SLC2A3 P11169 1/20 0.53
NPY5R Q15761 2/20 0.43
CYP1A2 P05177 8/20 0.42
USP2 O75604 7/20 0.42
ALDH1A1 P00352 7/20 0.42
CYP3A4 P08684 6/20 0.42
HSD17B10 Q99714 6/20 0.42
CASP1 P29466 5/20 0.42
CASP7 P55210 5/20 0.42
HIF1A Q16665 4/20 0.42
HPGD P15428 3/20 0.42
MAPK1 P28482 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NPSR1 Q6W5P4 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
GLA P06280 1/20 0.39
ALOX15 P16050 1/20 0.39
CYP2C9 P11712 1/20 0.39
ADRB1 P08588 2/20 0.38

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
SCHEMBL13876148 0.89 CHRNB2 (0.43) SLC2A1SLC2A3NPY5RCYP1A2USP2
SCHEMBL13875885 0.86 SLC2A1 (0.42) SLC2A1SLC2A3NPY5RCYP1A2USP2
SCHEMBL13875865 0.83 SLC2A1 (0.45) SLC2A1SLC2A3NPY5RCYP1A2USP2
SCHEMBL13875671 0.80 DPP4 (0.38) SLC2A1SLC2A3NPY5RCYP1A2USP2
SCHEMBL13875868 0.78 CYP1A2 (0.48) SLC2A1SLC2A3CYP1A2USP2ALDH1A1
SCHEMBL13876307 0.78 SLC2A1 (0.66) SLC2A1SLC2A3CYP1A2USP2ALDH1A1
SCHEMBL13875682 0.77 TLR7 (0.39)
SCHEMBL13876297 0.76 DPP4 (0.45) NPY5RCYP1A2USP2ALDH1A1CYP3A4
SCHEMBL13876308 0.75 TLR7 (0.42)
SCHEMBL10244864 0.74 DPP4 (0.49) CYP3A4

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