SCHEMBL13866871

SCHEMBL13866871

Cn1c(=O)n(Cc2ccccc2)c2c(N3CCNCC3)nc(Cl)nc21

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 8/20 0.64
L3MBTL1 Q9Y468 1/20 0.52
TP53 P04637 1/20 0.49
THRB P10828 1/20 0.49
ALDH1A1 P00352 4/20 0.47
NPSR1 Q6W5P4 3/20 0.47
MAPK1 P28482 2/20 0.47
TSHR P16473 2/20 0.47
RECQL P46063 1/20 0.47
FAP Q12884 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
HTR6 P50406 1/20 0.47
ALOX15 P16050 1/20 0.47
HSD17B10 Q99714 1/20 0.47
P2RX3 P56373 1/20 0.47
POLB P06746 2/20 0.46
SIRT5 Q9NXA8 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
CTDSP1 Q9GZU7 1/20 0.46

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
Trifluoroacetic Acid SCHEMBL3884716 0.92 DPP4 (0.56) DPP4L3MBTL1TP53THRBALDH1A1
SCHEMBL13876140 0.86 DPP4 (0.52) DPP4HTR6P2RX3
SCHEMBL13875834 0.84 DPP4 (0.46) DPP4L3MBTL1ALDH1A1TSHRFAP
SCHEMBL13866891 0.84 DPP4 (0.60) DPP4FAPHTR6P2RX3
SCHEMBL13867033 0.83 DPP4 (0.59) DPP4L3MBTL1TP53THRBALDH1A1
SCHEMBL13875675 0.83 DPP4 (0.45) DPP4L3MBTL1TP53ALDH1A1RECQL
SCHEMBL13876136 0.82 DPP4 (0.48) DPP4TP53ALDH1A1MAPK1HSD17B10
SCHEMBL13866887 0.80 DPP4 (0.56) DPP4TP53ALDH1A1MAPK1FAP
SCHEMBL13876111 0.80 DPP4 (0.44) DPP4L3MBTL1TP53ALDH1A1MAPK1
SCHEMBL13866842 0.80 DPP4 (0.61) DPP4L3MBTL1FAP

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 2 patents. 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
US-7524847-B2 Fused 1,3-dihydro-imidazole ring compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-04-28 US disclosed