SCHEMBL9564882

SCHEMBL9564882

CN(CC(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)C(=O)[C@@H](N)C(Cc1ccccc1)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 4/20 0.46
FCER2 P06734 1/20 0.46
ACE P12821 3/20 0.46
SLC1A3 P43003 1/20 0.45
SLC1A2 P43004 1/20 0.45
SLC1A1 P43005 1/20 0.45
OPRD1 P41143 7/20 0.43
OPRM1 P35372 6/20 0.43
OPRK1 P41145 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
SCHEMBL9564881 0.85 FCER2 (0.42) HPGDSFCER2ACEOPRD1OPRM1
SCHEMBL9564886 0.82 REN (0.42) HPGDSFCER2ACE
SCHEMBL9708620 0.75 SLC1A3 (0.62) FCER2SLC1A3SLC1A2SLC1A1OPRD1
SCHEMBL12205295 0.74 FOLH1 (0.51) ACE
SCHEMBL22457558 0.74 ACE (0.53) ACE
SCHEMBL2583067 0.73 CTSS (0.46) HPGDSACE
SCHEMBL2583065 0.73 CTSS (0.46) HPGDSACE
SCHEMBL12205303 0.72 ACE (0.50) ACE
SCHEMBL29437738 0.71 ACE (0.60) ACE
SCHEMBL27755089 0.71 ACE (0.60) ACE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0565148-A2 Intermediates for preparation of H-Arg-X-Y-Z-Tyr-R ORTHO PHARMACEUTICAL CORPORATION (US) 1993-10-13 EP disclosed