SCHEMBL13875679

SCHEMBL13875679

CCn1c(=O)n(CC#N)c2nc(Cl)nc(N3CCNCC3)c21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 6/20 0.35
HTR2C P28335 3/20 0.35
P2RX3 P56373 3/20 0.35
PIM1 P11309 1/20 0.34
ALDH1A1 P00352 5/20 0.33
HPGD P15428 3/20 0.33
CYP1A2 P05177 3/20 0.33
CASP1 P29466 3/20 0.33
CASP7 P55210 3/20 0.33
HSD17B10 Q99714 3/20 0.33
CYP2C9 P11712 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
KDM4E B2RXH2 1/20 0.33
PDE4A P27815 1/20 0.32
ADORA2A P29274 1/20 0.32
ADORA2B P29275 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4C Q08493 1/20 0.32

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
SCHEMBL13866885 0.88 DPP4 (0.47) DPP4P2RX3
SCHEMBL13875834 0.82 DPP4 (0.46) DPP4HTR2CPIM1ALDH1A1CYP2C9
SCHEMBL13875677 0.82 P2RX3 (0.43) DPP4HTR2CP2RX3PIM1ALDH1A1
SCHEMBL13876123 0.81 P2RX3 (0.42) DPP4HTR2CP2RX3PIM1ALDH1A1
Trifluoroacetic Acid SCHEMBL3883168 0.81 DPP4 (0.41) DPP4P2RX3ALDH1A1
SCHEMBL13876136 0.81 DPP4 (0.48) DPP4HTR2CP2RX3ALDH1A1HPGD
SCHEMBL13876140 0.81 DPP4 (0.52) DPP4P2RX3PIM1ADORA2AADORA2B
SCHEMBL13875678 0.79 P2RX3 (0.40) DPP4HTR2CP2RX3ALDH1A1HPGD
SCHEMBL13866892 0.79 DPP4 (0.47) DPP4ALDH1A1HPGDCYP1A2CASP1
SCHEMBL13866882 0.78 DPP4 (0.50) DPP4P2RX3PIM1ADORA2AADORA2B

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