SCHEMBL13876136

SCHEMBL13876136

CCn1c(=O)n(CCc2ccccc2)c2nc(Cl)nc(N3CCNCC3)c21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 3/20 0.48
ALDH1A1 P00352 4/20 0.47
CYP1A2 P05177 4/20 0.47
CYP3A4 P08684 4/20 0.47
CYP2D6 P10635 4/20 0.47
CYP2C9 P11712 4/20 0.47
HSD17B10 Q99714 4/20 0.47
CASP1 P29466 3/20 0.47
HPGD P15428 2/20 0.47
CASP7 P55210 2/20 0.47
USP2 O75604 3/20 0.46
CYP2C19 P33261 3/20 0.46
HTR3A P46098 2/20 0.46
HTR2C P28335 2/20 0.45
TP53 P04637 2/20 0.45
HIF1A Q16665 2/20 0.45
MAPK1 P28482 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
LMNA P02545 1/20 0.44
SIRT1 Q96EB6 1/20 0.44

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
SCHEMBL13876140 0.92 DPP4 (0.52) DPP4HTR3AP2RX3ADORA1ADORA3
SCHEMBL13875678 0.90 P2RX3 (0.40) DPP4ALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL13866887 0.88 DPP4 (0.56) DPP4ALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL13866871 0.82 DPP4 (0.64) DPP4ALDH1A1HSD17B10TP53MAPK1
Trifluoroacetic Acid SCHEMBL3887064 0.82 DPP4 (0.50) DPP4ALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL13875834 0.81 DPP4 (0.46) DPP4ALDH1A1CYP2C9CYP2C19HTR2C
SCHEMBL13875679 0.81 DPP4 (0.35) DPP4ALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL13875677 0.81 P2RX3 (0.43) DPP4ALDH1A1CYP2C9HPGDHTR2C
SCHEMBL13866891 0.79 DPP4 (0.60) DPP4P2RX3
SCHEMBL13875681 0.78 DPP4 (0.42) DPP4ALDH1A1HTR2CP2RX3

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