SCHEMBL9489209

SCHEMBL9489209

COc1cc(NC(=O)C2CCCN2C(=O)C(N)CCCCN)cc2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.48
DPP8 Q6V1X1 3/20 0.48
DPP4 P27487 2/20 0.47
DPP7 Q9UHL4 2/20 0.47
NTMT1 Q9BV86 1/20 0.44
CYP2C9 P11712 3/20 0.44
CYP2C19 P33261 3/20 0.44
NPSR1 Q6W5P4 1/20 0.43
OPRM1 P35372 1/20 0.43
OPRD1 P41143 1/20 0.43
OPRK1 P41145 1/20 0.43
MAPK1 P28482 2/20 0.43
HTT P42858 1/20 0.42
F12 P00748 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
CYP3A4 P08684 2/20 0.42
CYP2D6 P10635 2/20 0.42
KCNH2 Q12809 1/20 0.42
FAP Q12884 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
SCHEMBL9489213 1.00 ALDH1A1 (0.48) ALDH1A1DPP8DPP4DPP7NTMT1
SCHEMBL1006699 0.87 DPP8 (0.47) DPP8DPP4DPP7NTMT1OPRM1
SCHEMBL9490722 0.84 DPP8 (0.54) ALDH1A1DPP8DPP4DPP7NTMT1
SCHEMBL4889705 0.83 ALDH1A1 (0.55) ALDH1A1CYP2C9CYP2C19NPSR1MAPK1
SCHEMBL7777173 0.75 DPP8 (0.48) DPP8DPP4DPP7OPRM1OPRD1
SCHEMBL9488598 0.73 DPP8 (0.51) ALDH1A1DPP8DPP4DPP7OPRM1
SCHEMBL29385022 0.73 KDM4E (0.53) ALDH1A1DPP8DPP4DPP7OPRM1
SCHEMBL9614454 0.73 KDM4E (0.53) ALDH1A1DPP8DPP4DPP7OPRM1
Hydrochloric Acid SCHEMBL29692921 0.72 KDM4E (0.52) ALDH1A1DPP8DPP4DPP7OPRM1
SCHEMBL31437669 0.72 NTMT1 (0.50) ALDH1A1NTMT1OPRM1OPRD1OPRK1

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