SCHEMBL4594530

SCHEMBL4594530

N#CC1(I)CCCN1C(=O)CNC12C[C@@H]3C[C@H](CC(O)(C3)C1)C2

nearest known ligand 0.59

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 16/20 0.59
DPP8 Q6V1X1 4/20 0.59
DPP9 Q86TI2 3/20 0.59
FAP Q12884 1/20 0.59
DPP7 Q9UHL4 1/20 0.43
GLMN Q92990 1/20 0.41

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
SCHEMBL4450998 1.00 DPP4 (0.59) DPP4DPP8DPP9FAPDPP7
SCHEMBL12354533 0.85 DPP4 (0.60) DPP4DPP8DPP9FAPDPP7
SCHEMBL1038132 0.76 DPP4 (0.73) DPP4DPP8DPP9FAPDPP7
SCHEMBL30730737 0.76 DPP4 (0.73) DPP4DPP8DPP9FAPDPP7
Vildagliptin SCHEMBL16823370 0.74 DPP4 (1.00) DPP4DPP8DPP9FAP
Vildagliptin SCHEMBL665401 0.74 DPP4 (1.00) DPP4DPP8DPP9FAP
Vildagliptin SCHEMBL671629 0.74 DPP4 (1.00) DPP4DPP8DPP9FAP
Vildagliptin SCHEMBL16579 0.74 DPP4 (1.00) DPP4DPP8DPP9FAP
Vildagliptin SCHEMBL10031674 0.74 DPP4 (1.00) DPP4DPP8DPP9FAP
Vildagliptin SCHEMBL665400 0.74 DPP4 (1.00) DPP4DPP8DPP9FAP

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-1917001-A2 PHARMACEUTICAL COMPOSITION COMPRISING A DPP-IV INHIBITOR F.HOFFMANN-LA ROCHE AG (CH) 2008-05-07 EP disclosed
WO-2007017423-A2 PHARMACEUTICAL COMPOSITION COMPRISING A DPP-IV INHIBITOR F. HOFFMANN-LA ROCHE AG (CH) 2007-02-15 WO disclosed