SCHEMBL13876111

SCHEMBL13876111

C/C=C/Cn1c(=O)n(C)c2nc(Cl)nc(N3CCNCC3)c21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 9/20 0.44
GAA P10253 2/20 0.44
ALDH1A1 P00352 4/20 0.43
MAPK1 P28482 3/20 0.43
L3MBTL1 Q9Y468 1/20 0.41
HPGD P15428 2/20 0.39
HSD17B10 Q99714 2/20 0.39
KDM4E B2RXH2 1/20 0.39
LMNA P02545 2/20 0.37
MEN1 O00255 1/20 0.37
ALOX15 P16050 1/20 0.37
TSHR P16473 1/20 0.37
KMT2A Q03164 1/20 0.37
NOD2 Q9HC29 1/20 0.37
NOD1 Q9Y239 1/20 0.37
POLB P06746 2/20 0.36
SIRT5 Q9NXA8 1/20 0.36
TP53 P04637 2/20 0.36
NUDT5 Q9UKK9 1/20 0.35
FAP Q12884 2/20 0.35

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
SCHEMBL13866870 1.00 DPP4 (0.44) DPP4GAAALDH1A1MAPK1L3MBTL1
Trifluoroacetic Acid SCHEMBL3872990 0.91 DPP4 (0.41) DPP4GAAALDH1A1MAPK1L3MBTL1
Trifluoroacetic Acid SCHEMBL3872986 0.91 DPP4 (0.41) DPP4GAAALDH1A1MAPK1L3MBTL1
SCHEMBL13875834 0.86 DPP4 (0.46) DPP4ALDH1A1L3MBTL1LMNATSHR
SCHEMBL13866869 0.85 DPP4 (0.62) DPP4ALDH1A1MAPK1L3MBTL1LMNA
SCHEMBL13875675 0.85 DPP4 (0.45) DPP4ALDH1A1L3MBTL1POLBSIRT5
SCHEMBL13866842 0.82 DPP4 (0.61) DPP4L3MBTL1FAP
SCHEMBL13866872 0.81 DPP4 (0.46) DPP4ALDH1A1L3MBTL1HPGDHSD17B10
SCHEMBL13866868 0.81 DPP4 (0.49) DPP4ALDH1A1L3MBTL1POLBSIRT5
SCHEMBL13866871 0.80 DPP4 (0.64) DPP4ALDH1A1MAPK1L3MBTL1HSD17B10

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