SCHEMBL6926165

SCHEMBL6926165

C#CCC(NC(=O)[C@H]([C@@H](CCc1ccccc1)N(C)C)N(C)C(=O)O)C(=O)NC(CC1CCCCC1)C(O)[C@@H](O)CC(C)C

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
REN P00797 19/20 0.58
PSEN1 P49768 1/20 0.49
PSEN2 P49810 1/20 0.49
APH1B Q8WW43 1/20 0.49
NCSTN Q92542 1/20 0.49
APH1A Q96BI3 1/20 0.49
PSENEN Q9NZ42 1/20 0.49
CTSD P07339 1/20 0.47
PGA5 P0DJD9 1/20 0.47
CTSE P14091 1/20 0.47
PGC P20142 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
SCHEMBL5709659 0.77 REN (0.57) REN
SCHEMBL5709573 0.76 REN (0.54) RENPSEN1PSEN2APH1BNCSTN
SCHEMBL6925430 0.72 REN (0.60) REN
SCHEMBL7491046 0.71 REN (0.60) REN
SCHEMBL7311911 0.71 REN (0.57) REN
SCHEMBL5709565 0.71 REN (0.62) RENPSEN1PSEN2APH1BNCSTN
SCHEMBL9249864 0.71 REN (0.62) RENPSEN1PSEN2APH1BNCSTN
SCHEMBL5709582 0.70 REN (0.59) REN
SCHEMBL5709629 0.70 REN (0.60) REN
SCHEMBL5709600 0.69 REN (0.66) 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
US-6515025-B2 Renin inhibitor PHARMACIA CORPORATION 2003-02-04 US disclosed