SCHEMBL8213541

SCHEMBL8213541

O=C(CC(Cc1n[nH]c2c(F)cccc12)[N+](=O)[O-])N1CCn2c(nnc2C(F)(F)F)C1

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 20/20 0.53
▸ DPP8 Q6V1X1 9/20 0.53
▸ DPP7 Q9UHL4 2/20 0.48
▸ DPP9 Q86TI2 2/20 0.48
▸ ACE P12821 1/20 0.48
▸ HTR2A P28223 1/20 0.48
▸ FAP Q12884 1/20 0.48

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
SCHEMBL8213214 0.88 DPP4 (0.51) DPP4DPP8DPP7DPP9
SCHEMBL8204342 0.87 DPP4 (0.68) DPP4DPP8DPP7DPP9ACE
SCHEMBL8212296 0.84 DPP4 (0.56) DPP4DPP8DPP7DPP9ACE
SCHEMBL8217514 0.80 DPP4 (0.55) DPP4DPP8DPP7DPP9ACE
SCHEMBL9991047 0.78 DPP4 (0.73) DPP4DPP8DPP7DPP9ACE
SCHEMBL9991052 0.78 DPP4 (0.73) DPP4DPP8DPP7DPP9ACE
SCHEMBL14960664 0.78 DPP4 (0.73) DPP4DPP8DPP7DPP9ACE
SCHEMBL4781924 0.78 DPP4 (0.71) DPP4DPP8DPP7DPP9ACE
SCHEMBL8207325 0.76 DPP4 (0.68) DPP4DPP8DPP7DPP9ACE
SCHEMBL8223890 0.75 DPP4 (0.56) DPP4DPP8DPP7DPP9ACE

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
WO-2008040995-A9 INDAZOLES FOR USE AS DPP-IV INHIBITORS PEAKDALE MOLECULAR LTD (GB) 2008-12-31 — — WO disclosed
WO-2008040995-A1 INDAZOLES FOR USE AS DPP-IV INHIBITORS PEAKDALE MOLECULAR LIMITED (GB) 2008-04-10 — — WO disclosed
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