SCHEMBL5220325

SCHEMBL5220325

Cc1cc(C)c(S(=O)(=O)N2CCC(NCC(=O)N3CC(F)C[C@H]3C#N)CC2)c(C)c1

nearest known ligand 0.62

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 18/20 0.62
DPP8 Q6V1X1 4/20 0.51
DPP9 Q86TI2 4/20 0.51
EBP Q15125 1/20 0.48
DHCR7 Q9UBM7 1/20 0.48
PREP P48147 3/20 0.47
DPP7 Q9UHL4 3/20 0.47
EPHX2 P34913 1/20 0.46

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
SCHEMBL5220162 1.00 DPP4 (0.62) DPP4DPP8DPP9EBPDHCR7
Hydrochloric Acid SCHEMBL5223972 0.99 DPP4 (0.61) DPP4DPP8DPP9EBPDHCR7
SCHEMBL5567538 0.84 DPP4 (0.76) DPP4DPP8DPP9
SCHEMBL5564968 0.84 DPP4 (0.76) DPP4DPP8DPP9
SCHEMBL6609010 0.81 EBP (0.54) EBPDHCR7EPHX2
SCHEMBL5215962 0.81 DPP4 (0.69) DPP4DPP8DPP9
Hydrochloric Acid SCHEMBL5510024 0.80 DPP4 (0.68) DPP4DPP8DPP9
Hydrochloric Acid SCHEMBL5510013 0.80 DPP4 (0.68) DPP4DPP8DPP9
Hydrochloric Acid SCHEMBL5148938 0.80 DPP4 (0.68) DPP4DPP8DPP9
Hydrochloric Acid SCHEMBL5510011 0.80 DPP4 (0.68) DPP4DPP8DPP9

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1399433-B1 FLUOROPYRROLIDINES AS DIPEPTIDYL PEPTIDASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2007-08-22 EP claimed