SCHEMBL13876141

SCHEMBL13876141

CCOc1nc(N2CCNCC2)c2c(n1)n(C)c(=O)n2CC

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 10/20 0.43
POLB P06746 2/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ALDH1A1 P00352 1/20 0.37
MAPK1 P28482 2/20 0.37
MAPT P10636 1/20 0.36
FAP Q12884 2/20 0.35
LMNA P02545 1/20 0.35
TSHR P16473 1/20 0.35
PIM1 P11309 1/20 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
SCHEMBL13866851 0.88 DPP4 (0.57) DPP4FAP
SCHEMBL13875834 0.82 DPP4 (0.46) DPP4POLBCYP2C9CYP2C19L3MBTL1
Trifluoroacetic Acid SCHEMBL3885858 0.81 DPP4 (0.49) DPP4FAP
SCHEMBL13866862 0.79 DPP4 (0.57) DPP4FAP
SCHEMBL13866841 0.76 DPP4 (0.59) DPP4FAP
SCHEMBL13875849 0.76 DPP4 (0.39) DPP4POLB
SCHEMBL13866858 0.76 DPP4 (0.53) DPP4FAP
SCHEMBL13866946 0.75 DPP4 (0.43) DPP4FAP
SCHEMBL13866847 0.74 DPP4 (0.56) DPP4FAP
SCHEMBL13866853 0.74 DPP4 (0.62) DPP4FAP

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