SCHEMBL8027149

SCHEMBL8027149

O=C(OCc1ccccc1)C(O)CN(Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(-c2ccc3ccccc3c2)cc1)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ACE P12821 10/20 0.58
MME P08473 10/20 0.56
CPA1 P15085 1/20 0.48
ACE2 Q9BYF1 1/20 0.48
GPR34 Q9UPC5 6/20 0.47

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
SCHEMBL27463686 0.95 ACE (0.52) ACEMMECPA1ACE2GPR34
SCHEMBL8027188 0.92 ACE (0.67) ACEMMECPA1ACE2
SCHEMBL8017386 0.92 MME (0.63) ACEMMECPA1ACE2GPR34
SCHEMBL8017382 0.92 MME (0.63) ACEMMECPA1ACE2GPR34
SCHEMBL8028610 0.91 ACE (0.68) ACEMMECPA1ACE2
SCHEMBL27446261 0.91 MME (0.70) ACEMMECPA1ACE2GPR34
SCHEMBL8030172 0.91 MME (0.70) ACEMMECPA1ACE2GPR34
SCHEMBL8028778 0.90 MME (0.52) ACEMMECPA1ACE2GPR34
SCHEMBL27464504 0.88 ACE (0.60) ACEMME
SCHEMBL27446254 0.87 ACE (0.55) ACEMMEGPR34

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