SCHEMBL4635012

SCHEMBL4635012

CC(=O)c1ccc(N2CC3C(C2)C3NCC(=O)N2C[C@@H](F)CC2C#N)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 20/20 1.00
DPP8 Q6V1X1 16/20 1.00
DPP7 Q9UHL4 15/20 1.00
DPP9 Q86TI2 14/20 1.00
PREP P48147 11/20 1.00

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
SCHEMBL4900350 1.00 DPP4 (1.00) DPP4DPP8DPP7DPP9PREP
SCHEMBL4888159 0.91 DPP4 (0.84) DPP4DPP8DPP7DPP9PREP
SCHEMBL4888165 0.91 DPP4 (0.84) DPP4DPP8DPP7DPP9PREP
SCHEMBL4635437 0.90 DPP4 (1.00) DPP4DPP8DPP7DPP9PREP
SCHEMBL4635441 0.90 DPP4 (1.00) DPP4DPP8DPP7DPP9PREP
SCHEMBL4635388 0.90 DPP4 (1.00) DPP4DPP8DPP7DPP9PREP
SCHEMBL4635395 0.90 DPP4 (1.00) DPP4DPP8DPP7DPP9PREP
SCHEMBL4635420 0.88 DPP4 (0.79) DPP4DPP8DPP7DPP9PREP
SCHEMBL4897238 0.88 DPP4 (1.00) DPP4DPP8DPP7DPP9PREP
SCHEMBL4897021 0.88 DPP4 (0.81) DPP4DPP8DPP7DPP9PREP

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-1931633-A2 DERIVATIVES OF 3-AZABICYCLO[3.1.0]HEXANE AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS Ranbaxy Laboratories Limited (IN) 2008-06-18 EP disclosed
WO-2007029086-A2 DERIVATIVES OF 3-AZABICYCLO[3.1.0]HEXANE AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2007-03-15 WO disclosed