SCHEMBL9660753

SCHEMBL9660753

C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)N1CCC(N)CC1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)CC(C)(C)O

nearest known ligand 0.54

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
REN P00797 19/20 0.54
BACE1 P56817 1/20 0.47

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
SCHEMBL9660051 0.96 REN (0.55) REN
SCHEMBL9658151 0.92 REN (0.59) REN
SCHEMBL9658144 0.92 REN (0.59) REN
SCHEMBL9659568 0.91 REN (0.54) RENBACE1
SCHEMBL9270343 0.91 REN (0.58) REN
SCHEMBL9659429 0.90 REN (0.58) REN
SCHEMBL9659577 0.89 REN (0.60) REN
SCHEMBL9659616 0.89 REN (0.52) REN
SCHEMBL9658123 0.88 REN (0.55) REN
SCHEMBL9660767 0.87 REN (0.60) 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-0490259-A2 Aminoacid and peptid derivatives with renin inhibiting properties MERCK PATENT GmbH (DE) 1992-06-17 EP disclosed