SCHEMBL2367543

SCHEMBL2367543

CC(C)COC(=O)NC(CCCCNC(=O)c1ccc(S)nc1)C(=O)N1CCSC1

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.42
DPP8 Q6V1X1 1/20 0.42
DPP9 Q86TI2 1/20 0.42
DPP7 Q9UHL4 1/20 0.42
FOLH1 Q04609 2/20 0.38
TGM2 P21980 17/20 0.38

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
SCHEMBL12291405 0.88 TGM2 (0.45) DPP4DPP8DPP9DPP7FOLH1
SCHEMBL2367694 0.80 DPP4 (0.55) DPP4DPP8DPP9DPP7
SCHEMBL8355096 0.77 TGM2 (0.40) DPP4DPP8DPP9DPP7FOLH1
SCHEMBL8357427 0.71 DPP4 (0.34) DPP4DPP8DPP9DPP7FOLH1
SCHEMBL13852683 0.70 TGM2 (0.38) DPP4DPP8DPP9DPP7FOLH1
SCHEMBL10078265 0.70 TGM2 (0.46) DPP4DPP8DPP9DPP7TGM2
SCHEMBL10054478 0.70 TGM2 (0.46) DPP4DPP8DPP9DPP7TGM2
SCHEMBL5350152 0.70 TGM2 (0.47) DPP4DPP8DPP9DPP7TGM2
SCHEMBL2859552 0.68 DPP4 (0.66) DPP4DPP8DPP9DPP7TGM2
SCHEMBL2859559 0.68 DPP4 (0.66) DPP4DPP8DPP9DPP7TGM2

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-2366394-A1 Characterization and validation of inhibitors and ligands of dipeptidyl aminopeptidase IV (DP IV) IMTM GmbH (DE) 2011-09-21 EP claimed
EP-2366394-A1 Characterization and validation of inhibitors and ligands of dipeptidyl aminopeptidase IV (DP IV) IMTM GmbH (DE) 2011-09-21 EP disclosed