SCHEMBL4635345

SCHEMBL4635345

N#Cc1c(Cl)cccc1N1CC2C(C1)C2NCC(=O)N1C[C@@H](F)CC1C#N

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 20/20 1.00
DPP7 Q9UHL4 16/20 1.00
DPP9 Q86TI2 15/20 1.00
PREP P48147 11/20 1.00
DPP8 Q6V1X1 16/20 0.78

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
SCHEMBL4896845 1.00 DPP4 (1.00) DPP4DPP7DPP9PREPDPP8
SCHEMBL4894461 0.90 DPP4 (1.00) DPP4DPP7DPP9PREPDPP8
SCHEMBL4897143 0.88 DPP4 (1.00) DPP4DPP7DPP9PREPDPP8
SCHEMBL4635195 0.84 DPP4 (1.00) DPP4DPP7DPP9PREPDPP8
SCHEMBL4896057 0.84 DPP4 (1.00) DPP4DPP7DPP9PREPDPP8
SCHEMBL4894680 0.82 DPP4 (1.00) DPP4DPP7DPP9PREPDPP8
SCHEMBL4635413 0.82 DPP4 (1.00) DPP4DPP7DPP9PREPDPP8
SCHEMBL4669093 0.81 DPP4 (1.00) DPP4DPP7DPP9PREPDPP8
SCHEMBL4896836 0.81 DPP4 (1.00) DPP4DPP7DPP9PREPDPP8
SCHEMBL4897021 0.81 DPP4 (0.81) DPP4DPP7DPP9PREPDPP8

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