SCHEMBL8293131

SCHEMBL8293131

N[C@@H](CC(=O)N1Cc2ccccc2C[C@H]1C(=O)Nc1ccccn1)Cc1ccccc1F

nearest known ligand 0.51

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 19/20 0.51
TDP1 Q9NUW8 1/20 0.48
DPP7 Q9UHL4 4/20 0.46
DPP8 Q6V1X1 2/20 0.46

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
SCHEMBL8293683 0.87 DPP4 (0.57) DPP4TDP1DPP7DPP8
SCHEMBL8293185 0.85 TDP1 (0.55) DPP4TDP1DPP7DPP8
SCHEMBL8294408 0.84 TDP1 (0.68) DPP4TDP1DPP7DPP8
SCHEMBL8293190 0.83 DPP4 (0.46) DPP4TDP1DPP7DPP8
SCHEMBL8295415 0.83 TDP1 (0.51) DPP4TDP1DPP7DPP8
SCHEMBL8294713 0.83 TDP1 (0.51) DPP4TDP1DPP7DPP8
SCHEMBL8293182 0.83 DPP4 (0.55) DPP4TDP1DPP7DPP8
SCHEMBL21067940 0.83 DPP4 (0.53) DPP4TDP1DPP7DPP8
SCHEMBL21067942 0.83 DPP4 (0.53) DPP4TDP1DPP7DPP8
SCHEMBL5661437 0.83 DPP4 (0.53) DPP4TDP1DPP7DPP8

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