SCHEMBL6414873

SCHEMBL6414873

Cn1c(OC(=O)COC(=O)C(F)(F)F)nc2nc(N3CCNCC3)n(-c3ccccc3Cl)c2c1=O

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 5/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
HTR2C P28335 4/20 0.34
ADRB1 P08588 1/20 0.33
ALDH1A1 P00352 2/20 0.33
TSHR P16473 2/20 0.31
MAPT P10636 1/20 0.31
HSD17B10 Q99714 1/20 0.31
GAA P10253 1/20 0.31
LMNA P02545 1/20 0.31
MAPK1 P28482 1/20 0.31
HTT P42858 1/20 0.31
NUDT5 Q9UKK9 1/20 0.30
SOS1 Q07889 1/20 0.30
PTPN11 Q06124 1/20 0.30
KCNH2 Q12809 1/20 0.30
HTR1A P08908 1/20 0.30
SLC6A2 P23975 1/20 0.30
HTR6 P50406 1/20 0.30

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
SCHEMBL2954278 0.88 DPP4 (0.40) DPP4L3MBTL1HTR2CADRB1ALDH1A1
Trifluoroacetic Acid SCHEMBL2954275 0.86 DPP4 (0.42) DPP4L3MBTL1HTR2CADRB1ALDH1A1
SCHEMBL13200001 0.84 DPP4 (0.44) DPP4L3MBTL1HTR2CADRB1ALDH1A1
SCHEMBL5776234 0.84 DPP4 (0.38) DPP4L3MBTL1HTR2CADRB1ALDH1A1
SCHEMBL5718922 0.82 DPP4 (0.46) DPP4L3MBTL1HTR2CADRB1ALDH1A1
Trifluoroacetic Acid SCHEMBL6414868 0.81 DPP4 (0.39) DPP4L3MBTL1HTR2CADRB1ALDH1A1
Trifluoroacetic Acid SCHEMBL5776230 0.80 DPP4 (0.39) DPP4L3MBTL1HTR2CADRB1ALDH1A1
SCHEMBL6381482 0.78 DPP4 (0.51) DPP4
SCHEMBL27623297 0.77 DPP4 (0.49) DPP4L3MBTL1HTR2CADRB1ALDH1A1
SCHEMBL5774800 0.77 DPP4 (0.50) DPP4L3MBTL1HTR2CALDH1A1TSHR

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
EP-1514552-A1 NOVEL FUSED IMIDAZOLE DERIVATIVE Eisai Co., Ltd. (JP) 2005-03-16 EP disclosed