SCHEMBL7575117

SCHEMBL7575117

CC(C)CN(CCC(=O)O)C(=O)N[C@@H](Cc1cc(N)ccc1-c1ccccc1)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MME P08473 12/20 0.49
ACE P12821 12/20 0.49
CPA1 P15085 1/20 0.41
ACE2 Q9BYF1 1/20 0.41
CTSB P07858 1/20 0.40
NTSR1 P30989 1/20 0.37
LPAR1 Q92633 1/20 0.36
ERAP2 Q6P179 1/20 0.36

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
SCHEMBL7567834 0.89 MME (0.50) MMEACECPA1ACE2CTSB
SCHEMBL7572397 0.89 ACE (0.51) MMEACECPA1ACE2CTSB
SCHEMBL7566385 0.88 MME (0.52) MMEACECPA1ACE2
SCHEMBL7567661 0.88 MME (0.49) MMEACECPA1ACE2CTSB
SCHEMBL7568664 0.86 MME (0.49) MMEACECPA1ACE2CTSB
SCHEMBL7567107 0.84 MME (0.46) MMEACECPA1ACE2
SCHEMBL7565255 0.80 MME (0.69) MMEACECPA1ACE2CTSB
SCHEMBL7573605 0.78 MME (0.47) MMEACECTSBLPAR1
SCHEMBL7567517 0.78 MME (0.77) MMEACECPA1ACE2
SCHEMBL7568906 0.78 MME (0.77) MMEACECPA1ACE2

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