Vildagliptin

Vildagliptin

SCHEMBL16823370

N#CC1CCCN1C(=O)CNC12CC3C[C@H](CC(O)(C3)C1)C2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

DPP4

The experimentally established mechanism targets of Vildagliptin. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DPP4 known ✓ P27487 17/20 1.00
FAP Q12884 1/20 1.00
DPP8 Q6V1X1 1/20 1.00
DPP9 Q86TI2 1/20 1.00
PREP P48147 1/20 0.70

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
Vildagliptin SCHEMBL29369942 1.00 DPP4 (1.00) DPP4FAPDPP8DPP9PREP
Vildagliptin SCHEMBL27193113 1.00 DPP4 (1.00) DPP4FAPDPP8DPP9PREP
Vildagliptin SCHEMBL10031674 1.00 DPP4 (1.00) DPP4FAPDPP8DPP9PREP
Vildagliptin SCHEMBL16153676 1.00 DPP4 (1.00) DPP4FAPDPP8DPP9PREP
Vildagliptin SCHEMBL665401 1.00 DPP4 (1.00) DPP4FAPDPP8DPP9PREP
Vildagliptin SCHEMBL16155482 1.00 DPP4 (1.00) DPP4FAPDPP8DPP9PREP
Vildagliptin SCHEMBL16579 1.00 DPP4 (1.00) DPP4FAPDPP8DPP9PREP
Vildagliptin SCHEMBL665400 1.00 DPP4 (1.00) DPP4FAPDPP8DPP9PREP
Vildagliptin SCHEMBL671629 1.00 DPP4 (1.00) DPP4FAPDPP8DPP9PREP
Vildagliptin SCHEMBL354910 1.00 DPP4 (1.00) DPP4FAPDPP8DPP9PREP

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3082801-A1 AN ADVANCED AND COST-EFFECTIVE PROCESS FOR PREPARING HIGHLY PURE VILDAGLIPTIN Harman Finochem Limited (IN) 2016-10-26 EP disclosed
EP-3082801-A1 AN ADVANCED AND COST-EFFECTIVE PROCESS FOR PREPARING HIGHLY PURE VILDAGLIPTIN Harman Finochem Limited (IN) 2016-10-26 EP disclosed
WO-2015092806-A1 AN ADVANCED AND COST-EFFECTIVE PROCESS FOR PREPARING HIGHLY PURE VILDAGLIPTIN HARMAN FINOCHEM LIMITED (IN) 2015-06-25 WO disclosed
WO-2015092806-A1 AN ADVANCED AND COST-EFFECTIVE PROCESS FOR PREPARING HIGHLY PURE VILDAGLIPTIN HARMAN FINOCHEM LIMITED (IN) 2015-06-25 WO disclosed