SCHEMBL9488598

SCHEMBL9488598

NCCCC[C@H](N)C(=O)N1CCC[C@H]1C(=O)Nc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DPP8 Q6V1X1 7/20 0.51
DPP4 P27487 6/20 0.51
DPP7 Q9UHL4 6/20 0.51
DPP9 Q86TI2 4/20 0.47
FAP Q12884 1/20 0.47
LMNA P02545 2/20 0.45
NAMPT P43490 1/20 0.45
MMP2 P08253 2/20 0.43
MMP9 P14780 1/20 0.42
F2 P00734 2/20 0.42
OPRM1 P35372 1/20 0.42
ALDH1A1 P00352 1/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
ACE P12821 1/20 0.41
PDF Q9HBH1 1/20 0.41

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
SCHEMBL11453560 0.87 DPP4 (0.47) DPP8DPP4DPP7DPP9FAP
SCHEMBL30608510 0.87 DPP4 (0.50) DPP8DPP4DPP7DPP9LMNA
SCHEMBL6417819 0.86 LMNA (0.46) DPP8DPP4DPP7DPP9LMNA
SCHEMBL9011317 0.83 DPP4 (0.58) DPP8DPP4DPP7DPP9FAP
SCHEMBL1257864 0.83 LMNA (0.53) DPP8DPP4DPP7DPP9LMNA
SCHEMBL9490722 0.81 DPP8 (0.54) DPP8DPP4DPP7DPP9FAP
SCHEMBL31139625 0.81 DPP8 (0.42) DPP8DPP4DPP7DPP9LMNA
SCHEMBL873647 0.80 DPP8 (0.49) DPP8DPP4DPP7DPP9FAP
SCHEMBL4372297 0.80 NAMPT (0.53) LMNANAMPTMMP2MMP9ALDH1A1
SCHEMBL18509855 0.80 NAMPT (0.53) LMNANAMPTMMP2MMP9ALDH1A1

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-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