SCHEMBL7573678

SCHEMBL7573678

CC(C)CN(CC(CCc1ccccc1)C(N)=O)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)O

nearest known ligand 0.71

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MME P08473 13/20 0.71
ACE P12821 13/20 0.71
CPA1 P15085 2/20 0.48
ACE2 Q9BYF1 2/20 0.48
CA2 P00918 1/20 0.45
FCER2 P06734 1/20 0.43
PIN1 Q13526 2/20 0.43
BCHE P06276 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
SCHEMBL7573682 1.00 MME (0.71) MMEACECPA1ACE2CA2
SCHEMBL7569444 0.93 MME (0.74) MMEACECPA1ACE2PIN1
SCHEMBL7567514 0.93 MME (0.74) MMEACECPA1ACE2PIN1
SCHEMBL7569434 0.93 MME (0.74) MMEACECPA1ACE2PIN1
SCHEMBL8447138 0.90 MME (0.58) MMEACEFCER2
SCHEMBL7569404 0.90 MME (0.69) MMEACECPA1ACE2FCER2
SCHEMBL7572307 0.90 MME (0.69) MMEACECPA1ACE2FCER2
SCHEMBL7569054 0.89 MME (0.67) MMEACECPA1ACE2
SCHEMBL7569057 0.89 MME (0.67) MMEACECPA1ACE2
SCHEMBL7575443 0.88 MME (0.67) MMEACECPA1ACE2PIN1

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-0798291-B1 NOVEL 1,3-DIALKYLUREA DERIVATIVES SANTEN PHARMACEUTICAL CO LTD (JP) 2002-09-11 EP disclosed
EP-0798291-A1 NOVEL 1,3-DIALKYLUREA DERIVATIVES SANTEN PHARMACEUTICAL CO., LTD. (JP) 1997-10-01 EP disclosed