SCHEMBL25075296

SCHEMBL25075296

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

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 15/20 0.40
PIN1 Q13526 1/20 0.40
MME P08473 4/20 0.37
DPP7 Q9UHL4 2/20 0.37
FAP Q12884 1/20 0.37
DPP8 Q6V1X1 1/20 0.37
DPP9 Q86TI2 1/20 0.37
CYP3A4 P08684 2/20 0.36
MMEL1 Q495T6 1/20 0.36

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
SCHEMBL15108795 1.00 DPP4 (0.40) DPP4PIN1MMEDPP7FAP
SCHEMBL15103376 1.00 DPP4 (0.40) DPP4PIN1MMEDPP7FAP
SCHEMBL2572967 0.85 DPP4 (0.44) DPP4DPP7FAPDPP8DPP9
SCHEMBL30136577 0.85 DPP4 (0.44) DPP4DPP7FAPDPP8DPP9
SCHEMBL12971210 0.85 DPP4 (0.44) DPP4DPP7FAPDPP8DPP9
SCHEMBL3705644 0.85 DPP4 (0.44) DPP4PIN1MMECYP3A4MMEL1
SCHEMBL28306443 0.85 PIN1 (0.43) DPP4PIN1MMEDPP7DPP8
SCHEMBL28306442 0.85 PIN1 (0.43) DPP4PIN1MMEDPP7DPP8
SCHEMBL16750215 0.84 DPP4 (0.42) DPP4PIN1DPP7DPP8DPP9
SCHEMBL743044 0.84 DPP4 (0.42) DPP4PIN1DPP7DPP8DPP9

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-2023021529-A1 IMPROVED ENZYMATIC SYNTHESIS OF SITAGLIPTIN OR ITS SALTS THEREOF FERMENTA BIOTECH LIMITED (IN) 2023-02-23 WO disclosed