SCHEMBL8217514

SCHEMBL8217514

O=C(CC(Cc1c[nH]c2cccc(F)c12)[N+](=O)[O-])N1CCn2c(nnc2C(F)(F)F)C1

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 20/20 0.55
▸ DPP8 Q6V1X1 9/20 0.55
▸ DPP9 Q86TI2 2/20 0.50
▸ DPP7 Q9UHL4 2/20 0.50
▸ ACE P12821 1/20 0.50
▸ HTR2A P28223 1/20 0.50
▸ FAP Q12884 1/20 0.50

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
SCHEMBL8223890 0.84 DPP4 (0.56) DPP4DPP8DPP9DPP7ACE
SCHEMBL9991047 0.82 DPP4 (0.73) DPP4DPP8DPP9DPP7ACE
SCHEMBL14960664 0.82 DPP4 (0.73) DPP4DPP8DPP9DPP7ACE
SCHEMBL9991052 0.82 DPP4 (0.73) DPP4DPP8DPP9DPP7ACE
SCHEMBL8213541 0.80 DPP4 (0.53) DPP4DPP8DPP9DPP7ACE
SCHEMBL8213214 0.78 DPP4 (0.51) DPP4DPP8DPP9DPP7
SCHEMBL8223787 0.76 DPP4 (0.56) DPP4DPP8DPP9DPP7ACE
SCHEMBL8212296 0.75 DPP4 (0.56) DPP4DPP8DPP9DPP7ACE
SCHEMBL8227443 0.74 DPP4 (0.71) DPP4DPP8DPP9DPP7ACE
SCHEMBL8223711 0.74 DPP4 (0.73) DPP4DPP8DPP9DPP7ACE

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
WO-2008040974-A1 INDOLES FOR USE AS DPP-IV INHIBITORS PEAKDALE MOLECULAR LIMITED (GB) 2008-04-10 — — WO disclosed
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