SCHEMBL7566385

SCHEMBL7566385

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

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MME P08473 15/20 0.52
ACE P12821 11/20 0.52
FFAR1 O14842 1/20 0.42
FFAR4 Q5NUL3 1/20 0.42
CPA1 P15085 1/20 0.41
ACE2 Q9BYF1 1/20 0.41
ITGB1 P05556 1/20 0.39
ITGA4 P13612 1/20 0.39
ITGB7 P26010 1/20 0.39
ITGB2 P05107 1/20 0.39
ICAM1 P05362 1/20 0.39
ITGAL P20701 1/20 0.39
MMEL1 Q495T6 1/20 0.39
MAPK1 P28482 1/20 0.38

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) MMEACECPA1ACE2MAPK1
SCHEMBL7572397 0.89 ACE (0.51) MMEACECPA1ACE2
SCHEMBL7570085 0.88 MME (0.47) MMEACEFFAR1FFAR4
SCHEMBL7567661 0.88 MME (0.49) MMEACEFFAR1FFAR4CPA1
SCHEMBL7575117 0.88 MME (0.49) MMEACECPA1ACE2
SCHEMBL7568664 0.86 MME (0.49) MMEACECPA1ACE2ITGB2
SCHEMBL7567107 0.84 MME (0.46) MMEACECPA1ACE2ITGA4
SCHEMBL7565255 0.80 MME (0.69) MMEACECPA1ACE2ITGB1
SCHEMBL7573605 0.78 MME (0.47) MMEACE
SCHEMBL7567517 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