SCHEMBL7569381

SCHEMBL7569381

O=C(O)[C@@H](CCc1ccccc1)CN(Cc1ccccc1)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)O

nearest known ligand 0.64

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ACE P12821 9/20 0.64
MME P08473 9/20 0.59
CPA1 P15085 2/20 0.48
ACE2 Q9BYF1 2/20 0.48
LPAR1 Q92633 1/20 0.46
CA2 P00918 1/20 0.46
PTPN2 P17706 1/20 0.46
PTPN1 P18031 1/20 0.46
CDC25B P30305 1/20 0.46
PIN1 Q13526 2/20 0.44

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
SCHEMBL7569373 1.00 ACE (0.64) ACEMMECPA1ACE2LPAR1
SCHEMBL7573818 0.90 ACE (0.56) ACEMMECPA1ACE2LPAR1
SCHEMBL7573808 0.90 ACE (0.56) ACEMMECPA1ACE2LPAR1
SCHEMBL7569434 0.90 MME (0.74) ACEMMECPA1ACE2PIN1
SCHEMBL7567514 0.90 MME (0.74) ACEMMECPA1ACE2PIN1
SCHEMBL7569444 0.90 MME (0.74) ACEMMECPA1ACE2PIN1
SCHEMBL7573630 0.88 ACE (0.57) ACEMMECPA1ACE2LPAR1
SCHEMBL7573623 0.88 ACE (0.57) ACEMMECPA1ACE2LPAR1
SCHEMBL7568225 0.88 MME (0.57) ACEMMECPA1ACE2CA2
SCHEMBL7568219 0.88 MME (0.57) ACEMMECPA1ACE2CA2

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-0798291-B1 NOVEL 1,3-DIALKYLUREA DERIVATIVES SANTEN PHARMACEUTICAL CO LTD (JP) 2002-09-11 EP disclosed
US-5968980-A ENDOPEPTIDASE 24.11 INHIBITORS SANTEN PHARMACEUTICAL CO., LTD. (JP) 1999-10-19 US disclosed
EP-0798291-A1 NOVEL 1,3-DIALKYLUREA DERIVATIVES SANTEN PHARMACEUTICAL CO., LTD. (JP) 1997-10-01 EP disclosed