SCHEMBL13876102

SCHEMBL13876102

Cn1c(=O)[nH]c2c(N3CCNCC3)nc(OCc3ccccc3)nc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.53
CYP1A2 P05177 6/20 0.46
ALDH1A1 P00352 4/20 0.46
TSHR P16473 4/20 0.46
CLK4 Q9HAZ1 1/20 0.46
PRMT5 O14744 2/20 0.45
HTR1A P08908 1/20 0.43
SLC6A2 P23975 1/20 0.43
SLC6A4 P31645 1/20 0.43
SLC6A3 Q01959 1/20 0.43
POLB P06746 2/20 0.42
SIRT5 Q9NXA8 1/20 0.42
CYP2C19 P33261 4/20 0.42
CYP2C9 P11712 3/20 0.42
MAPK1 P28482 2/20 0.42
LMNA P02545 1/20 0.42
CYP3A4 P08684 3/20 0.42
HSD17B10 Q99714 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
USP2 O75604 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
SCHEMBL13876297 0.84 DPP4 (0.45) DPP4CYP1A2ALDH1A1TSHRHTR1A
SCHEMBL13875849 0.83 DPP4 (0.39) DPP4POLBSIRT5HTR2CTLR7
SCHEMBL13876315 0.80 DPP4 (0.51) DPP4CYP1A2ALDH1A1TSHRPOLB
SCHEMBL13875672 0.80 MAPT (0.38) DPP4ALDH1A1POLBSIRT5MAPK1
SCHEMBL13875671 0.80 DPP4 (0.38) DPP4CYP1A2ALDH1A1TSHRPOLB
SCHEMBL13875846 0.77 TLR7 (0.41) DPP4ALDH1A1POLBSIRT5TLR7
SCHEMBL13875752 0.76 HTR2C (0.43) DPP4CYP1A2HTR1APOLBSIRT5
SCHEMBL13866853 0.76 DPP4 (0.62) DPP4
SCHEMBL13876930 0.75 DPP4 (0.38) DPP4ALDH1A1POLBSIRT5HSD17B10
SCHEMBL13875683 0.73 SLC2A1 (0.53) CYP1A2ALDH1A1TSHRCYP2C19CYP2C9

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