SCHEMBL9985996

SCHEMBL9985996

CONC(=O)CC(O)Cc1cc(F)c(F)cc1F

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 20/20 0.48
DPP7 Q9UHL4 3/20 0.37
DPP8 Q6V1X1 2/20 0.36
DPP9 Q86TI2 2/20 0.36
CYP2D6 P10635 1/20 0.36
CYP3A4 P08684 1/20 0.35

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
SCHEMBL9985994 1.00 DPP4 (0.48) DPP4DPP7DPP8DPP9CYP2D6
SCHEMBL3719922 0.83 DPP4 (0.48) DPP4DPP7
SCHEMBL902826 0.83 DPP4 (0.48) DPP4DPP7
SCHEMBL3721167 0.83 DPP4 (0.48) DPP4DPP7
SCHEMBL4751458 0.81 DPP4 (0.40) DPP4DPP7DPP8DPP9
SCHEMBL9987006 0.79 DPP4 (0.43) DPP4DPP7DPP8DPP9CYP2D6
SCHEMBL9987028 0.78 DPP4 (0.44) DPP4DPP7DPP8CYP3A4
SCHEMBL9987022 0.78 DPP4 (0.44) DPP4DPP7DPP8CYP3A4
SCHEMBL9986469 0.78 DPP4 (0.45) DPP4DPP7DPP8DPP9CYP3A4
SCHEMBL3992005 0.78 DPP4 (0.47) DPP4DPP7DPP8DPP9CYP3A4

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
EP-2397141-A1 Process for the synthesis of beta-amino acids and derivatives thereof LEK Pharmaceuticals d.d. (SI) 2011-12-21 EP disclosed