SCHEMBL9658151

SCHEMBL9658151

CC(C)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 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
REN P00797 18/20 0.59
PSEN1 P49768 1/20 0.53
PSEN2 P49810 1/20 0.53
APH1B Q8WW43 1/20 0.53
NCSTN Q92542 1/20 0.53
APH1A Q96BI3 1/20 0.53
PSENEN Q9NZ42 1/20 0.53
PSMB11 A5LHX3 1/20 0.49
PSMA7 O14818 1/20 0.49
PSMB1 P20618 1/20 0.49
PSMA1 P25786 1/20 0.49
PSMA2 P25787 1/20 0.49
PSMA3 P25788 1/20 0.49
PSMA4 P25789 1/20 0.49
PSMB8 P28062 1/20 0.49
PSMB9 P28065 1/20 0.49
PSMA5 P28066 1/20 0.49
PSMB4 P28070 1/20 0.49
PSMB6 P28072 1/20 0.49
PSMB5 P28074 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
SCHEMBL9658144 1.00 REN (0.59) RENPSEN1PSEN2APH1BNCSTN
SCHEMBL9660051 0.95 REN (0.55) REN
SCHEMBL9660753 0.92 REN (0.54) REN
SCHEMBL9660070 0.92 REN (0.60) RENPSEN1PSEN2APH1BNCSTN
SCHEMBL9270343 0.91 REN (0.58) REN
SCHEMBL9659429 0.90 REN (0.58) REN
SCHEMBL9659577 0.89 REN (0.60) REN
SCHEMBL9660057 0.88 REN (0.56) REN
SCHEMBL9660390 0.88 REN (0.56) REN
SCHEMBL9659616 0.87 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-0490259-A2 Aminoacid and peptid derivatives with renin inhibiting properties MERCK PATENT GmbH (DE) 1992-06-17 EP disclosed