SCHEMBL4635837

SCHEMBL4635837

CC(C)(C)c1ccc(S(=O)(=O)N2CC3C(C2)C3NCC(=O)N2CC(F)CC2C#N)cc1

nearest known ligand 0.59

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 20/20 0.59
DPP8 Q6V1X1 17/20 0.59
DPP7 Q9UHL4 16/20 0.59
DPP9 Q86TI2 14/20 0.59
PREP P48147 9/20 0.58

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
SCHEMBL4635833 1.00 DPP4 (0.59) DPP4DPP8DPP7DPP9PREP
SCHEMBL4635919 1.00 DPP4 (0.59) DPP4DPP8DPP7DPP9PREP
SCHEMBL4897131 0.93 DPP4 (0.68) DPP4DPP8DPP7DPP9PREP
SCHEMBL4635943 0.93 DPP4 (0.68) DPP4DPP8DPP7DPP9PREP
SCHEMBL4886612 0.89 DPP4 (0.65) DPP4DPP8DPP7DPP9PREP
SCHEMBL4898122 0.88 DPP4 (0.74) DPP4DPP8DPP7DPP9PREP
SCHEMBL4896773 0.88 DPP4 (0.60) DPP4DPP8DPP7DPP9PREP
SCHEMBL4897115 0.84 DPP4 (0.65) DPP4DPP8DPP7DPP9PREP
SCHEMBL4900437 0.82 DPP4 (0.67) DPP4DPP8DPP7DPP9PREP
SCHEMBL4884811 0.77 DPP4 (0.69) 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