SCHEMBL9488227

SCHEMBL9488227

CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)Nc1ccc2ccccc2c1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DPP8 Q6V1X1 4/20 0.57
DPP4 P27487 3/20 0.57
DPP7 Q9UHL4 2/20 0.57
STAT6 P42226 1/20 0.46
ELANE P08246 1/20 0.46
NPSR1 Q6W5P4 1/20 0.45
KDM4E B2RXH2 1/20 0.45
LMNA P02545 1/20 0.45
AKT1 P31749 2/20 0.44
ACE P12821 2/20 0.44
CD4 P01730 1/20 0.44
MALT1 Q9UDY8 1/20 0.44
REN P00797 1/20 0.44
ALDH1A1 P00352 1/20 0.44
TSHR P16473 1/20 0.44

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
SCHEMBL9490129 0.92 DPP8 (0.64) DPP8DPP4DPP7STAT6NPSR1
SCHEMBL4955191 0.78 DPP8 (0.71) DPP8DPP4DPP7ACE
SCHEMBL9040814 0.78 DPP8 (0.71) DPP8DPP4DPP7ACE
SCHEMBL5579349 0.78 HDAC1 (0.49) ELANENPSR1KDM4ELMNAMALT1
SCHEMBL7326774 0.77 DPP8 (0.70) DPP8DPP4DPP7ACEALDH1A1
SCHEMBL9490722 0.76 DPP8 (0.54) DPP8DPP4DPP7NPSR1ACE
SCHEMBL9040510 0.75 DPP4 (0.67) DPP8DPP4DPP7LMNAACE
SCHEMBL9040522 0.75 DPP4 (0.67) DPP8DPP4DPP7LMNAACE
Methanesulfonamide SCHEMBL11099377 0.75 DPP8 (0.65) DPP8DPP4DPP7ACE
SCHEMBL22209394 0.75 MALT1 (0.60) ELANEMALT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0255341-B1 REAGENT FOR TESTING PERIODONTAL DISEASES SUNSTAR KABUSHIKI KAISHA (JP) 1993-02-03 EP disclosed
US-5137811-A Method for diagnosing periodontal diseases with a substrate specific for aminopeptidase activity of periodontopathic bacteria SUNSTAR KABUSHIKI KAISHA (JP) 1992-08-11 US disclosed
EP-0255341-A2 Reagent for testing periodontal diseases SUNSTAR KABUSHIKI KAISHA (JP) 1988-02-03 EP disclosed