SCHEMBL4635195

SCHEMBL4635195

N#Cc1ccc(N2CC3C(C2)C3NCC(=O)N2CC(F)CC2C#N)c(Cl)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 20/20 1.00
DPP9 Q86TI2 16/20 1.00
DPP7 Q9UHL4 15/20 1.00
DPP8 Q6V1X1 15/20 1.00
PREP P48147 10/20 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
SCHEMBL4896057 1.00 DPP4 (1.00) DPP4DPP9DPP7DPP8PREP
SCHEMBL4636508 0.90 DPP4 (1.00) DPP4DPP9DPP7DPP8PREP
SCHEMBL4898094 0.90 DPP4 (1.00) DPP4DPP9DPP7DPP8PREP
SCHEMBL4897238 0.85 DPP4 (1.00) DPP4DPP9DPP7DPP8PREP
SCHEMBL4635345 0.84 DPP4 (1.00) DPP4DPP9DPP7DPP8PREP
SCHEMBL4896845 0.84 DPP4 (1.00) DPP4DPP9DPP7DPP8PREP
SCHEMBL4635215 0.83 DPP4 (1.00) DPP4DPP9DPP7DPP8PREP
SCHEMBL4894180 0.83 DPP4 (1.00) DPP4DPP9DPP7DPP8PREP
SCHEMBL4899030 0.82 DPP4 (1.00) DPP4DPP9DPP7DPP8PREP
SCHEMBL4636507 0.81 DPP4 (1.00) DPP4DPP9DPP7DPP8PREP

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