SCHEMBL8645002

SCHEMBL8645002

CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](CC(C)C)C(=O)N(c1ccc(-c2cccc(Cl)c2)cc1)[C@@H](C)C(=O)OC

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
REN P00797 2/20 0.41
ERAP2 Q6P179 1/20 0.41
ERAP1 Q9NZ08 1/20 0.41
LNPEP Q9UIQ6 1/20 0.41
MME P08473 3/20 0.40
MMEL1 Q495T6 2/20 0.40
MDM2 Q00987 1/20 0.38
ACE P12821 3/20 0.38
PTGES O14684 1/20 0.38
LMNA P02545 1/20 0.37
F10 P00742 2/20 0.37
NR1H4 Q96RI1 1/20 0.37
F2 P00734 1/20 0.37
PRSS1 P07477 1/20 0.37
ALOX5 P09917 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
SCHEMBL8640412 0.92 REN (0.46) RENMMEACELMNA
SCHEMBL8639909 0.88 REN (0.43) RENMMEACELMNA
SCHEMBL8638062 0.88 REN (0.42) RENMMEACELMNA
SCHEMBL8644979 0.88 REN (0.42) RENMMEACELMNA
SCHEMBL8641863 0.86 MME (0.49) ERAP2ERAP1LNPEPMMEMMEL1
SCHEMBL8756920 0.86 REN (0.47) RENMMEACELMNA
SCHEMBL8638508 0.85 NPC1 (0.39) RENMMEACE
SCHEMBL8642399 0.85 NPC1 (0.39) RENMMEACE
SCHEMBL8636757 0.84 MME (0.50) MMEACELMNAF10F2
SCHEMBL8639879 0.81 ACE (0.42) MMEACELMNA

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-0766694-B1 PEPTIDE DERIVATIVES WITH METALLOPEPTIDASE INHIBITORY ACTIVITY ZAMBON SPA (IT) 1998-08-05 EP disclosed