SCHEMBL8285597

SCHEMBL8285597

C=C(c1ccccc1)N1CCN[C@@H](C(=O)N2CCC[C@H]2B(O)O)C1

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 16/20 0.55
FAP Q12884 12/20 0.53
DPP9 Q86TI2 8/20 0.53
DPP8 Q6V1X1 8/20 0.53
DPP7 Q9UHL4 5/20 0.53
PREP P48147 7/20 0.50
PITRM1 Q5JRX3 3/20 0.41
ANPEP P15144 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
SCHEMBL13347240 0.89 DPP4 (0.57) DPP4FAPDPP9DPP8DPP7
SCHEMBL8288240 0.77 DPP4 (0.55) DPP4FAPDPP9DPP8DPP7
SCHEMBL16104916 0.73 HPGD (0.46) DPP4DPP8
SCHEMBL8234730 0.71 DPP4 (1.00) DPP4FAPDPP9DPP8DPP7
SCHEMBL4417766 0.71 DPP4 (1.00) DPP4FAPDPP9DPP8DPP7
SCHEMBL8285601 0.70 DPP4 (0.70) DPP4FAPDPP9DPP8DPP7
SCHEMBL13347244 0.70 DPP4 (0.70) DPP4FAPDPP9DPP8DPP7
SCHEMBL13347238 0.70 DPP4 (0.49) DPP4FAPDPP9DPP8DPP7
SCHEMBL16104907 0.70 DPP4 (0.67) DPP4FAPDPP9DPP8DPP7
SCHEMBL3179037 0.70 DPP4 (0.67) DPP4FAPDPP9DPP8DPP7

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-2005047297-A1 HETEROCYCLIC BORONIC ACID COMPOUNDS PHENOMIX CORPORATION (US) 2005-05-26 WO disclosed