SCHEMBL8288182

SCHEMBL8288182

CS(=O)(=O)c1ccc(C(=O)NC[C@@H]2CCCN2C(=O)CC(N)Cc2ccccc2F)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 20/20 1.00
DPP8 Q6V1X1 3/20 0.68
DPP9 Q86TI2 3/20 0.68
DPP7 Q9UHL4 3/20 0.68
CYP2D6 P10635 1/20 0.56

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
SCHEMBL8290072 1.00 DPP4 (1.00) DPP4DPP8DPP9DPP7CYP2D6
SCHEMBL14421718 0.90 DPP4 (0.81) DPP4DPP8DPP9DPP7CYP2D6
SCHEMBL8289055 0.90 DPP4 (1.00) DPP4DPP8DPP9DPP7
SCHEMBL8288995 0.90 DPP4 (1.00) DPP4DPP8DPP9DPP7
SCHEMBL23752266 0.90 DPP4 (1.00) DPP4DPP8DPP9DPP7
SCHEMBL4956172 0.87 DPP4 (0.94) DPP4DPP8DPP9DPP7
SCHEMBL8288179 0.87 DPP4 (1.00) DPP4DPP8DPP9DPP7CYP2D6
SCHEMBL8288180 0.86 DPP4 (1.00) DPP4DPP8DPP9DPP7CYP2D6
SCHEMBL14421652 0.86 DPP4 (1.00) DPP4DPP8DPP9DPP7CYP2D6
SCHEMBL8289047 0.84 DPP4 (0.80) DPP4DPP8DPP9DPP7CYP2D6

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-2005056003-A1 DPP-IV INHIBITORS SANTHERA PHARMACEUTICALS (SCHWEIZ) GMBH (CH) 2005-06-23 WO disclosed