SCHEMBL9490872

SCHEMBL9490872

O=C(CNC(=O)c1ccccc1)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)Nc1ccc2ccccc2c1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ACE P12821 14/20 0.50
ACE2 Q9BYF1 9/20 0.50
TSHR P16473 1/20 0.49
TACR1 P25103 1/20 0.48
CMA1 P23946 1/20 0.48
F2 P00734 1/20 0.47
PRSS1 P07477 1/20 0.47
PRSS2 P07478 1/20 0.47
PRSS3 P35030 1/20 0.47

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
SCHEMBL9491050 0.86 NMUR2 (0.54) ACEACE2
SCHEMBL9509731 0.83 ACE (0.66) ACEACE2TSHR
SCHEMBL9551626 0.83 ACE (0.66) ACEACE2TSHR
SCHEMBL9489896 0.83 PREP (0.56)
SCHEMBL8116561 0.80 DPP4 (0.53)
SCHEMBL9509127 0.79 ACE (0.63) ACEACE2TSHR
SCHEMBL18064456 0.78 HTRA1 (0.55) ACEACE2TSHR
SCHEMBL16576586 0.78 HTRA1 (0.55) ACEACE2TSHR
SCHEMBL8017603 0.77 TACR1 (0.54) TACR1
SCHEMBL19559815 0.76 HTRA1 (0.51) ACEACE2TSHR

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