SCHEMBL7277782

SCHEMBL7277782

CCC(CC)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)O

nearest known ligand 0.54

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
REN P00797 20/20 0.54
CTSE P14091 1/20 0.49

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
SCHEMBL7277793 1.00 REN (0.54) RENCTSE
SCHEMBL9554899 0.92 REN (0.54) RENCTSE
SCHEMBL9554907 0.92 REN (0.54) RENCTSE
SCHEMBL7268982 0.89 REN (0.52) RENCTSE
SCHEMBL7541597 0.87 REN (0.53) REN
SCHEMBL9554417 0.87 REN (0.53) RENCTSE
SCHEMBL9554425 0.87 REN (0.53) RENCTSE
SCHEMBL7541592 0.87 REN (0.53) REN
Hydrochloric Acid SCHEMBL9727943 0.86 REN (0.52) REN
Hydrochloric Acid SCHEMBL9727933 0.86 REN (0.52) 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-0391180-A2 Peptide derivatives of amino acids having a renin-inhibiting effect F. HOFFMANN-LA ROCHE AG (CH) 1990-10-10 EP disclosed