SCHEMBL16510458

SCHEMBL16510458

CC(F)c1nnc2n1CCN(C(=O)CC(=Cc1cc(F)c(F)cc1F)[N+](=O)[O-])C2

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 20/20 0.47
▸ DPP8 Q6V1X1 9/20 0.47
▸ DPP9 Q86TI2 3/20 0.38
▸ DPP7 Q9UHL4 3/20 0.38
▸ ACE P12821 1/20 0.38
▸ HTR2A P28223 1/20 0.38
▸ FAP Q12884 1/20 0.38

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
SCHEMBL9990091 0.83 DPP4 (0.54) DPP4DPP8DPP9DPP7ACE
SCHEMBL9990097 0.83 DPP4 (0.54) DPP4DPP8DPP9DPP7ACE
SCHEMBL18104703 0.64 DPP4 (1.00) DPP4DPP8DPP9DPP7ACE
SCHEMBL13472178 0.62 DPP4 (0.51) DPP4DPP8DPP9DPP7ACE
SCHEMBL16102356 0.62 KMT2A (0.55) DPP4DPP8
SCHEMBL16993659 0.61 DPP4 (0.59) DPP4DPP8DPP9DPP7ACE
SCHEMBL30272063 0.61 DPP4 (0.59) DPP4DPP8DPP9DPP7ACE
SCHEMBL16993660 0.61 DPP4 (0.59) DPP4DPP8DPP9DPP7ACE
SCHEMBL9991047 0.61 DPP4 (0.73) DPP4DPP8DPP9DPP7ACE
SCHEMBL14960664 0.61 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-2011151443-A1 A NOVEL SYNTHETIC APPROACH TO ß-AMINOBUTYRYL SUBSTITUTED COMPOUNDS LEK PHARMACEUTICALS D.D. (SI) 2011-12-08 — — WO disclosed
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