SCHEMBL9490722

SCHEMBL9490722

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

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DPP8 Q6V1X1 7/20 0.54
DPP7 Q9UHL4 5/20 0.53
DPP4 P27487 3/20 0.53
DPP9 Q86TI2 3/20 0.47
FAP Q12884 1/20 0.47
ACE P12821 1/20 0.45
NTMT1 Q9BV86 1/20 0.45
CYP2C9 P11712 3/20 0.45
CYP2C19 P33261 3/20 0.45
CYP3A4 P08684 2/20 0.45
CYP2D6 P10635 2/20 0.45
HTT P42858 2/20 0.44
F2 P00734 3/20 0.44
NPSR1 Q6W5P4 1/20 0.44
HCRTR1 O43613 1/20 0.43
HCRTR2 O43614 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPK1 P28482 1/20 0.43
CYP1A2 P05177 1/20 0.43

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
SCHEMBL25122378 0.86 CYP2C9 (0.47) CYP2C9CYP2C19CYP3A4CYP2D6HTT
SCHEMBL23007438 0.86 CYP2C9 (0.47) CYP2C9CYP2C19CYP3A4CYP2D6HTT
SCHEMBL25122224 0.86 CYP2C9 (0.47) CYP2C9CYP2C19CYP3A4CYP2D6HTT
SCHEMBL25122278 0.86 CYP2C9 (0.47) CYP2C9CYP2C19CYP3A4CYP2D6HTT
SCHEMBL25122248 0.86 CYP2C9 (0.47) CYP2C9CYP2C19CYP3A4CYP2D6HTT
SCHEMBL25122261 0.86 CYP2C9 (0.47) CYP2C9CYP2C19CYP3A4CYP2D6HTT
SCHEMBL8116561 0.84 DPP4 (0.53) DPP8DPP7DPP4DPP9FAP
SCHEMBL9489209 0.84 ALDH1A1 (0.48) DPP8DPP7DPP4DPP9FAP
SCHEMBL9489213 0.84 ALDH1A1 (0.48) DPP8DPP7DPP4DPP9FAP
SCHEMBL9490129 0.81 DPP8 (0.64) DPP8DPP7DPP4ACENPSR1

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