SCHEMBL8293182

SCHEMBL8293182

N[C@@H](CC(=O)N1Cc2ccccc2C[C@H]1C(=O)O)Cc1ccccc1F

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 17/20 0.55
DPP7 Q9UHL4 6/20 0.55
DPP8 Q6V1X1 3/20 0.51
DPP9 Q86TI2 1/20 0.49
TDP1 Q9NUW8 1/20 0.48
ACE P12821 2/20 0.47

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
SCHEMBL5661437 0.91 DPP4 (0.53) DPP4DPP7DPP8DPP9TDP1
SCHEMBL21067940 0.91 DPP4 (0.53) DPP4DPP7DPP8DPP9TDP1
SCHEMBL21067942 0.91 DPP4 (0.53) DPP4DPP7DPP8DPP9TDP1
SCHEMBL8293185 0.88 TDP1 (0.55) DPP4DPP7DPP8DPP9TDP1
SCHEMBL8294723 0.88 DPP4 (0.52) DPP4DPP7DPP8DPP9TDP1
SCHEMBL8294408 0.87 TDP1 (0.68) DPP4DPP7DPP8DPP9TDP1
SCHEMBL6242373 0.86 TDP1 (0.59) DPP4DPP7DPP8DPP9TDP1
SCHEMBL8295415 0.86 TDP1 (0.51) DPP4DPP7DPP8DPP9TDP1
SCHEMBL8294713 0.86 TDP1 (0.51) DPP4DPP7DPP8DPP9TDP1
SCHEMBL8293188 0.85 TDP1 (0.55) DPP4DPP7DPP8DPP9TDP1

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-2005056013-A1 DPP-IV INHIBITORS SANTHERA PHARMACEUTICALS (SCHWEIZ) GMBH (CH) 2005-06-23 WO disclosed