SCHEMBL10074160

SCHEMBL10074160

CC(=O)NC(Cc1ccccc1)C(O)C(=O)NCCC[S+]([O-])NCC(N)Cc1cc(F)ccc1F

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 3/20 0.36
DPP7 Q9UHL4 3/20 0.36
DPP9 Q86TI2 1/20 0.36
LAP3 P28838 2/20 0.36
ANPEP P15144 1/20 0.36
RNPEP Q9H4A4 1/20 0.36
DNPEP Q9ULA0 1/20 0.36
MMP2 P08253 2/20 0.35
PYGL P06737 1/20 0.34
BACE1 P56817 1/20 0.33
ALDH1A1 P00352 1/20 0.33
PSMB5 P28074 1/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA4 P43681 1/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL10074277 0.88 LAP3 (0.45) DPP4DPP7DPP9LAP3ANPEP
SCHEMBL10074161 0.86 MMP2 (0.46) DPP4DPP7DPP9LAP3ANPEP
SCHEMBL10074490 0.86 ATM (0.40)
SCHEMBL10078080 0.84 DPP4 (0.38) DPP4DPP7DPP9LAP3ANPEP
SCHEMBL10074349 0.74 MMP2 (0.50) DPP4DPP7DPP9LAP3ANPEP
SCHEMBL10074145 0.74 MMP2 (0.50) DPP4DPP7DPP9LAP3ANPEP
SCHEMBL10077474 0.72 ATM (0.40) ALDH1A1
SCHEMBL10077078 0.72 LAP3 (0.45) DPP4DPP7DPP9LAP3ANPEP
SCHEMBL10078089 0.72 LAP3 (0.45) DPP4DPP7DPP9LAP3ANPEP
SCHEMBL6873314 0.72 LAP3 (0.49) DPP4DPP7DPP9LAP3ANPEP

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-2418196-A1 Dual alanyl-aminopeptidase and dipeptidyl-peptidase IV inhibitors IMTM GmbH (DE) 2012-02-15 EP disclosed