SCHEMBL697536

SCHEMBL697536

COC(=O)C[C@@H](Cc1cc(F)c(F)cc1F)NC(=O)OC(C)C

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 16/20 0.41
FAP Q12884 1/20 0.34
DPP8 Q6V1X1 1/20 0.34
DPP9 Q86TI2 1/20 0.34
DPP7 Q9UHL4 1/20 0.34
ALOX15 P16050 1/20 0.32

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
SCHEMBL697538 1.00 DPP4 (0.41) DPP4FAPDPP8DPP9DPP7
SCHEMBL17227455 0.89 DPP4 (0.44) DPP4DPP7
SCHEMBL699084 0.88 DPP4 (0.39) DPP4FAPDPP8DPP9DPP7
SCHEMBL699083 0.88 DPP4 (0.39) DPP4FAPDPP8DPP9DPP7
SCHEMBL12971210 0.84 DPP4 (0.44) DPP4FAPDPP8DPP9DPP7
SCHEMBL30136577 0.84 DPP4 (0.44) DPP4FAPDPP8DPP9DPP7
SCHEMBL2572967 0.84 DPP4 (0.44) DPP4FAPDPP8DPP9DPP7
SCHEMBL30136576 0.84 DPP4 (0.42) DPP4
SCHEMBL344124 0.84 DPP4 (0.42) DPP4
SCHEMBL344125 0.84 DPP4 (0.42) DPP4

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-2423178-A1 Process for the production of sitagliptin Chemo Ibérica, S.A. (ES) 2012-02-29 EP disclosed
EP-2423178-A1 Process for the production of sitagliptin Chemo Ibérica, S.A. (ES) 2012-02-29 EP disclosed