SCHEMBL7268182

SCHEMBL7268182

CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NP(=O)(OC(C)C)OC(C)C)C(=O)N[C@H](CC(C)C)[C@H](O)c1ncc[nH]1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
REN P00797 8/20 0.47
PSMB5 P28074 4/20 0.41
BACE1 P56817 1/20 0.40
LONP1 P36776 4/20 0.40
PSMB11 A5LHX3 3/20 0.40
PSMA7 O14818 3/20 0.40
PSMB1 P20618 3/20 0.40
PSMA1 P25786 3/20 0.40
PSMA2 P25787 3/20 0.40
PSMA3 P25788 3/20 0.40
PSMA4 P25789 3/20 0.40
PSMB8 P28062 3/20 0.40
PSMB9 P28065 3/20 0.40
PSMA5 P28066 3/20 0.40
PSMB4 P28070 3/20 0.40
PSMB6 P28072 3/20 0.40
PSMB10 P40306 3/20 0.40
PSMB3 P49720 3/20 0.40
PSMB2 P49721 3/20 0.40
PSMA6 P60900 3/20 0.40

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
SCHEMBL7268186 1.00 REN (0.47) RENPSMB5BACE1LONP1PSMB11
SCHEMBL7277900 0.83 REN (0.47) RENBACE1
SCHEMBL7277916 0.83 REN (0.47) RENBACE1
SCHEMBL7277290 0.76 REN (0.61) REN
SCHEMBL7277296 0.76 REN (0.61) REN
SCHEMBL7269158 0.76 REN (0.44) RENPSMB5BACE1LONP1PSMB11
SCHEMBL7269155 0.76 REN (0.44) RENPSMB5BACE1LONP1PSMB11
SCHEMBL7317387 0.74 REN (0.53) REN
SCHEMBL7316242 0.74 REN (0.53) REN
SCHEMBL7315458 0.74 REN (0.53) 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