SCHEMBL8028778

SCHEMBL8028778

CN(CC(O)C(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccc(-c2ccc3ccccc3c2)cc1)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MME P08473 8/20 0.52
ACE P12821 8/20 0.52
CPA1 P15085 1/20 0.49
ACE2 Q9BYF1 1/20 0.49
HDAC1 Q13547 2/20 0.47
HDAC6 Q9UBN7 2/20 0.47
ITGB3 P05106 1/20 0.47
ITGAV P06756 1/20 0.47
GPR34 Q9UPC5 5/20 0.46

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
SCHEMBL27444764 0.95 HDAC1 (0.50) MMEACECPA1ACE2HDAC1
SCHEMBL8017170 0.92 MME (0.61) MMEACECPA1ACE2
SCHEMBL8028768 0.92 MME (0.58) MMEACECPA1ACE2ITGB3
SCHEMBL8028772 0.92 MME (0.58) MMEACECPA1ACE2ITGB3
SCHEMBL8027141 0.90 MME (0.63) MMEACECPA1ACE2HDAC1
SCHEMBL8027149 0.90 ACE (0.58) MMEACECPA1ACE2GPR34
SCHEMBL8016973 0.89 MME (0.53) MMEACECPA1ACE2HDAC1
SCHEMBL8030172 0.88 MME (0.70) MMEACECPA1ACE2GPR34
SCHEMBL27446261 0.88 MME (0.70) MMEACECPA1ACE2GPR34
SCHEMBL27464503 0.87 TACR1 (0.57) MMEACE

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0738711-B1 NOVEL 1,3-DIALKYLUREA DERIVATIVE HAVING HYDROXYL GROUP SANTEN PHARMACEUTICAL CO LTD (JP) 2000-03-08 EP disclosed
EP-0738711-A1 NOVEL 1,3-DIALKYLUREA DERIVATIVE HAVING HYDROXYL GROUP SANTEN PHARMACEUTICAL CO., LTD. (JP) 1996-10-23 EP disclosed