SCHEMBL8028005

SCHEMBL8028005

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

nearest known ligand 0.64

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MME P08473 13/20 0.64
ACE P12821 13/20 0.64
FCER2 P06734 1/20 0.45
HDAC1 Q13547 2/20 0.44
HDAC6 Q9UBN7 2/20 0.44
HPGDS O60760 1/20 0.41
CPA1 P15085 1/20 0.41
ACE2 Q9BYF1 1/20 0.41

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
SCHEMBL8453353 0.94 MME (0.74) MMEACEFCER2HDAC1HDAC6
SCHEMBL8027474 0.94 MME (0.74) MMEACEFCER2HDAC1HDAC6
SCHEMBL8017210 0.94 MME (0.74) MMEACECPA1ACE2
SCHEMBL8032612 0.92 MME (0.76) MMEACEFCER2CPA1ACE2
SCHEMBL8029449 0.91 MME (0.76) MMEACEFCER2HPGDSCPA1
SCHEMBL8029444 0.91 MME (0.76) MMEACEFCER2HPGDSCPA1
SCHEMBL8027344 0.87 MME (0.85) MMEACECPA1ACE2
SCHEMBL8029483 0.86 MME (0.86) MMEACEFCER2CPA1ACE2
SCHEMBL8448452 0.86 MME (0.86) MMEACEFCER2CPA1ACE2
SCHEMBL8027652 0.86 MME (0.86) MMEACEFCER2CPA1ACE2

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-0738711-B1 NOVEL 1,3-DIALKYLUREA DERIVATIVE HAVING HYDROXYL GROUP SANTEN PHARMACEUTICAL CO LTD (JP) 2000-03-08 EP disclosed
CN-1138321-A 1, 3-dialkyl urea derivative with hydrocarbon group SANTAN PHARMACEUTICAL CO LTD (JP) 1996-12-18 CN disclosed
EP-0738711-A1 NOVEL 1,3-DIALKYLUREA DERIVATIVE HAVING HYDROXYL GROUP SANTEN PHARMACEUTICAL CO., LTD. (JP) 1996-10-23 EP disclosed