SCHEMBL9490129

SCHEMBL9490129

NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCC[C@H]1C(=O)Nc1ccc2ccccc2c1

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DPP8 Q6V1X1 4/20 0.64
DPP4 P27487 3/20 0.64
DPP7 Q9UHL4 2/20 0.63
STAT6 P42226 1/20 0.51
ACE P12821 2/20 0.49
ALDH1A1 P00352 1/20 0.49
TSHR P16473 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
KDM4E B2RXH2 1/20 0.48
LMNA P02545 1/20 0.48
PRSS8 Q16651 2/20 0.47
KDM1A O60341 1/20 0.47
RCOR1 Q9UKL0 1/20 0.47
TGM2 P21980 3/20 0.46
HSD17B10 Q99714 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
SCHEMBL9488227 0.92 DPP8 (0.57) DPP8DPP4DPP7STAT6ACE
SCHEMBL4955191 0.85 DPP8 (0.71) DPP8DPP4DPP7ACEPRSS8
SCHEMBL9040814 0.85 DPP8 (0.71) DPP8DPP4DPP7ACEPRSS8
SCHEMBL7326774 0.84 DPP8 (0.70) DPP8DPP4DPP7ACEALDH1A1
SCHEMBL9040522 0.82 DPP4 (0.67) DPP8DPP4DPP7ACELMNA
SCHEMBL9040510 0.82 DPP4 (0.67) DPP8DPP4DPP7ACELMNA
SCHEMBL9490722 0.81 DPP8 (0.54) DPP8DPP4DPP7ACEALDH1A1
SCHEMBL7264291 0.81 DPP8 (0.66) DPP8DPP4DPP7ACEALDH1A1
Methanesulfonamide SCHEMBL11099377 0.80 DPP8 (0.65) DPP8DPP4DPP7ACEPRSS8
Hydrochloric Acid SCHEMBL7264261 0.80 DPP8 (0.65) DPP8DPP4DPP7ACEALDH1A1

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