SCHEMBL7568168

SCHEMBL7568168

CC(C)CN(CCC(=O)O)C(=O)N[C@@H](Cc1ccc(-c2cccc3ccccc23)cc1)C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MME P08473 14/20 0.60
ACE P12821 12/20 0.60
PPARG P37231 2/20 0.45
PPARA Q07869 2/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
ACE2 Q9BYF1 3/20 0.44
CPA1 P15085 2/20 0.44
NTSR1 P30989 2/20 0.44
ITGB1 P05556 1/20 0.43
ITGA4 P13612 1/20 0.43

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
SCHEMBL7565255 0.91 MME (0.69) MMEACEACE2CPA1ITGB1
SCHEMBL7567288 0.89 MME (0.53) MMEACEPPARGPPARAMEN1
SCHEMBL8027420 0.89 MME (0.77) MMEACEPPARGPPARAMEN1
SCHEMBL7567925 0.88 MME (0.77) MMEACEACE2CPA1
SCHEMBL7567517 0.88 MME (0.77) MMEACEACE2CPA1
SCHEMBL7568906 0.88 MME (0.77) MMEACEACE2CPA1
SCHEMBL8030600 0.87 MME (0.67) MMEACEPPARGPPARAMEN1
SCHEMBL8017230 0.86 MME (0.66) MMEACEPPARGPPARAMEN1
SCHEMBL7569081 0.85 MME (0.57) MMEACEPPARGPPARAMEN1
SCHEMBL7569082 0.85 MME (0.57) MMEACEPPARGPPARAMEN1

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