SCHEMBL4666255

SCHEMBL4666255

Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N3CC4C(C3)C4NCC(=O)N3C[C@@H](F)CC3C#N)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 19/20 0.56
DPP8 Q6V1X1 16/20 0.56
DPP7 Q9UHL4 15/20 0.56
DPP9 Q86TI2 14/20 0.56
PREP P48147 9/20 0.56
CRHBP P24387 1/20 0.50
CRHR2 Q13324 1/20 0.50

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
SCHEMBL4897090 1.00 DPP4 (0.56) DPP4DPP8DPP7DPP9PREP
SCHEMBL4897099 1.00 DPP4 (0.56) DPP4DPP8DPP7DPP9PREP
SCHEMBL4635320 0.93 DPP4 (0.55) DPP4DPP8DPP7DPP9PREP
SCHEMBL4635317 0.93 DPP4 (0.55) DPP4DPP8DPP7DPP9PREP
SCHEMBL4889000 0.90 DPP4 (0.67) DPP4DPP8DPP7DPP9PREP
SCHEMBL4635424 0.89 DPP4 (0.62) DPP4DPP8DPP7DPP9PREP
SCHEMBL4635421 0.89 DPP4 (0.62) DPP4DPP8DPP7DPP9PREP
SCHEMBL4635450 0.89 DPP4 (0.67) DPP4DPP8DPP7DPP9PREP
SCHEMBL4635451 0.89 DPP4 (0.67) DPP4DPP8DPP7DPP9PREP
SCHEMBL4894610 0.83 PREP (0.68) 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