SCHEMBL9986281

SCHEMBL9986281

CON[C@@H](CC(=O)O)Cc1cc(F)c(F)cc1F

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 19/20 0.45
CYP3A4 P08684 3/20 0.35
DPP7 Q9UHL4 2/20 0.34
PIN1 Q13526 1/20 0.34
DPP8 Q6V1X1 1/20 0.34
DPP9 Q86TI2 1/20 0.34

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
SCHEMBL9986286 1.00 DPP4 (0.45) DPP4CYP3A4DPP7PIN1DPP8
SCHEMBL13084119 0.88 DPP4 (0.45) DPP4CYP3A4DPP7DPP8DPP9
SCHEMBL15108790 0.85 DPP4 (0.40) DPP4CYP3A4
SCHEMBL3705644 0.84 DPP4 (0.44) DPP4CYP3A4PIN1
SCHEMBL743044 0.83 DPP4 (0.42) DPP4CYP3A4DPP7PIN1DPP8
SCHEMBL16750215 0.83 DPP4 (0.42) DPP4CYP3A4DPP7PIN1DPP8
SCHEMBL744346 0.83 DPP4 (0.42) DPP4CYP3A4DPP7PIN1DPP8
SCHEMBL7932108 0.81 DPP4 (0.40) DPP4CYP3A4DPP7PIN1DPP8
SCHEMBL4751469 0.81 DPP4 (0.38) DPP4CYP3A4DPP7DPP8DPP9
SCHEMBL15108785 0.81 PIN1 (0.41) DPP4CYP3A4DPP7PIN1DPP8

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