SCHEMBL6606763

SCHEMBL6606763

CC(C)(C)OC(=O)N[C@@H](CCCCNc1ccc(C#N)cn1)C(=O)N1CCSC1

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 12/20 0.55
DPP7 Q9UHL4 3/20 0.45
DPP8 Q6V1X1 3/20 0.43
DPP9 Q86TI2 2/20 0.43
TGM2 P21980 1/20 0.40
PREP P48147 1/20 0.38
ITGB3 P05106 2/20 0.37
ITGA2B P08514 2/20 0.37
P2RY2 P41231 1/20 0.37

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
SCHEMBL2854599 0.85 DPP4 (0.53) DPP4DPP7DPP8DPP9TGM2
SCHEMBL2854597 0.85 DPP4 (0.53) DPP4DPP7DPP8DPP9TGM2
SCHEMBL5872343 0.81 DPP7 (0.65) DPP4DPP7DPP8DPP9
SCHEMBL5871933 0.81 DPP4 (0.58) DPP4DPP7DPP8DPP9
Hydrochloric Acid SCHEMBL5871963 0.81 DPP7 (0.64) DPP4DPP7DPP8DPP9
Hydrochloric Acid SCHEMBL2849754 0.81 DPP7 (0.64) DPP4DPP7DPP8DPP9
Hydrochloric Acid SCHEMBL2849760 0.81 DPP7 (0.64) DPP4DPP7DPP8DPP9
SCHEMBL4913612 0.77 PREP (0.50) DPP4DPP7DPP8DPP9TGM2
SCHEMBL12291405 0.76 TGM2 (0.45) DPP4DPP7DPP8DPP9TGM2
SCHEMBL6890952 0.75 PREP (0.48) DPP4DPP7DPP8DPP9TGM2

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-1280797-B1 INHIBITORS OF DIPEPTIDYL PEPTIDASE IV FERRING BV (NL) 2004-10-13 EP disclosed