SCHEMBL9564886

SCHEMBL9564886

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

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
REN P00797 2/20 0.42
ACE P12821 5/20 0.40
FCER2 P06734 1/20 0.40
HPGDS O60760 4/20 0.39
F10 P00742 1/20 0.39
MDM4 O15151 1/20 0.39
MDM2 Q00987 1/20 0.39
CTSS P25774 2/20 0.38
CTSK P43235 2/20 0.38
CTSL P07711 1/20 0.38
CTSB P07858 1/20 0.38
ERAP2 Q6P179 1/20 0.37
ERAP1 Q9NZ08 1/20 0.37
LNPEP Q9UIQ6 1/20 0.37

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
SCHEMBL11400555 0.86 CTSS (0.36) ACEMDM4MDM2CTSSCTSK
SCHEMBL2583065 0.86 CTSS (0.46) RENACEHPGDSMDM4MDM2
SCHEMBL2583067 0.86 CTSS (0.46) RENACEHPGDSMDM4MDM2
SCHEMBL9564881 0.86 FCER2 (0.42) ACEFCER2HPGDSF10
SCHEMBL9564935 0.82 ACE (0.43) ACECTSSCTSKCTSLCTSB
SCHEMBL9564882 0.82 HPGDS (0.46) ACEFCER2HPGDS
SCHEMBL2585648 0.77 MDM4 (0.55) MDM4MDM2CTSSCTSKERAP2
SCHEMBL2585645 0.77 MDM4 (0.55) MDM4MDM2CTSSCTSKERAP2
SCHEMBL2583010 0.76 TACR1 (0.51) ACE
SCHEMBL2583014 0.76 TACR1 (0.51) 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 5 patents. 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
EP-0042291-B1 METHODS AND COMPOSITIONS FOR PREPARATION OF H-ARG-X-Z-Y-TYR-R ORTHO PHARMACEUTICAL CORPORATION (US) 1986-12-10 EP disclosed
US-4369137-A N-Protected pentapeptides useful as intermediates in the preparation of thymopoietin pentapeptide ORTHO PHARMACEUTICAL CORPORATION (US) 1983-01-18 US disclosed
EP-0042291-A2 Methods and compositions for preparation of H-Arg-X-Z-Y-Tyr-R ORTHO PHARMACEUTICAL CORPORATION (US) 1981-12-23 EP disclosed
US-4298523-A OLIGOPEPTIDES OF ARGININE, LYSINE, VALINE, SARCOSINE, ASPARTIC OR GLUTAMIC ACID, AND TYROSINE ORTHO PHARMACEUTICAL CORPORATION (US) 1981-11-03 US disclosed