SCHEMBL7267680

SCHEMBL7267680

CCOP(=O)(NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(C)C)[C@@H](O)c1nccs1)OCC

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
REN P00797 11/20 0.45
BACE1 P56817 6/20 0.40
BACE2 Q9Y5Z0 2/20 0.40
PSMB5 P28074 2/20 0.38
PTPRB P23467 1/20 0.38

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
SCHEMBL7278858 0.85 REN (0.57) RENBACE1BACE2
SCHEMBL7269371 0.83 REN (0.51) REN
SCHEMBL7269368 0.83 REN (0.51) REN
SCHEMBL7269158 0.82 REN (0.44) RENBACE1PSMB5PTPRB
SCHEMBL7269155 0.82 REN (0.44) RENBACE1PSMB5PTPRB
SCHEMBL7269941 0.76 CTSD (0.43) RENPSMB5PTPRB
SCHEMBL7275145 0.73 REN (0.47) RENBACE1BACE2PSMB5
SCHEMBL7275153 0.73 REN (0.47) RENBACE1BACE2PSMB5
SCHEMBL9725737 0.71 REN (0.50) RENPTPRB
SCHEMBL7275371 0.70 REN (0.50) REN

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-0376040-A2 N-phosphinyl di-and tripeptides as renin inhibitors AMERICAN CYANAMID COMPANY (US) 1990-07-04 EP disclosed