SCHEMBL7567107

SCHEMBL7567107

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

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MME P08473 9/20 0.46
ACE P12821 8/20 0.46
KMT2A Q03164 1/20 0.44
ITGA4 P13612 3/20 0.41
ITGB7 P26010 3/20 0.41
ITGB2 P05107 1/20 0.40
ICAM1 P05362 1/20 0.40
ITGAL P20701 1/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.39
CPA1 P15085 1/20 0.38
ACE2 Q9BYF1 1/20 0.38
PTGS2 P35354 2/20 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
SCHEMBL7565217 0.89 ITGA4 (0.44) MMEACEKMT2AITGA4ITGB7
SCHEMBL7572397 0.85 ACE (0.51) MMEACECPA1ACE2
SCHEMBL7567834 0.85 MME (0.50) MMEACECPA1ACE2
SCHEMBL7567661 0.84 MME (0.49) MMEACEITGB2ICAM1ITGAL
SCHEMBL7566385 0.84 MME (0.52) MMEACEITGA4ITGB7ITGB2
SCHEMBL7575117 0.84 MME (0.49) MMEACECPA1ACE2
SCHEMBL7568664 0.83 MME (0.49) MMEACEITGB2ICAM1ITGAL
SCHEMBL7565255 0.77 MME (0.69) MMEACEITGA4ITGB7CPA1
SCHEMBL7573605 0.75 MME (0.47) MMEACE
SCHEMBL7568906 0.75 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