SCHEMBL7345581

SCHEMBL7345581

CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@@H](C)CNC(=O)Cc1cc2ccccc2[nH]1

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
REN P00797 19/20 0.50
PSEN1 P49768 1/20 0.46
PSEN2 P49810 1/20 0.46
APH1B Q8WW43 1/20 0.46
NCSTN Q92542 1/20 0.46
APH1A Q96BI3 1/20 0.46
PSENEN Q9NZ42 1/20 0.46

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
SCHEMBL5709601 0.87 REN (0.54) REN
SCHEMBL5709653 0.82 REN (0.50) RENPSEN1PSEN2APH1BNCSTN
SCHEMBL5709649 0.79 REN (0.49) RENPSEN1PSEN2APH1BNCSTN
SCHEMBL5709600 0.79 REN (0.66) REN
SCHEMBL5709565 0.78 REN (0.62) RENPSEN1PSEN2APH1BNCSTN
SCHEMBL9249864 0.78 REN (0.62) RENPSEN1PSEN2APH1BNCSTN
SCHEMBL5709607 0.78 MAPT (0.55) REN
SCHEMBL9730905 0.77 REN (0.53) REN
SCHEMBL5709585 0.77 REN (0.53) REN
SCHEMBL5709664 0.77 REN (0.51) 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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0431520-B1 Heterocyclic acyl aminodiol beta-amino acid derivatives SEARLE & CO (US) 1995-02-08 EP claimed
US-5147888-A Hypotensive agents; renin inhibitors G. D. SEARLE & CO. (US) 1992-09-15 US claimed
EP-0431520-A2 Heterocyclic acyl aminodiol beta-amino acid derivatives G.D. Searle & Co. (US) 1991-06-12 EP claimed
EP-0431520-B1 Heterocyclic acyl aminodiol beta-amino acid derivatives SEARLE & CO (US) 1995-02-08 EP disclosed
US-5231111-A Imidazolyl/imidazolylalkyl-N-terminal cycloalkoxy-C-terminal amino hydroxy β-amino acid derivatives G. D. SEARLE & CO. (US) 1993-07-27 US disclosed
US-5223532-A Chromonyl/chromonylalkyl-N-terminal cycloalkoxy-C-terminal amino hydroxy β-amino derivatives G. D. SEARLE & CO. (US) 1993-06-29 US disclosed
US-5223514-A Renin inhibiros, hypotensive agents G. D. SEARLE & CO. (US) 1993-06-29 US disclosed
US-5223534-A Renin inhibitors, hypotensive agents G. D. SEARLE & CO. (US) 1993-06-29 US disclosed
US-5217988-A Renin inhibitor, hypotensive agent G. D. SEARLE & CO. (US) 1993-06-08 US disclosed
US-5217991-A Renin inhibitors for treating hypertension G. D. SEARLE & CO. (US) 1993-06-08 US disclosed
US-5217989-A Benothiophenyl/benzothiophenylalkyl-N-terminal cycloalkoxy-C-terminal amino hydroxy β-amino acid derivatives G. D. SEARLE & CO. (US) 1993-06-08 US disclosed
US-5215996-A Renin inhibitors; hypotensive agents G. D. SEARLE & CO. (US) 1993-06-01 US disclosed
US-5216013-A Aralkyl-N-terminal cycloalkoxy-C terminal amino hydroxy β-amino acid derivatives G. D. SEARLE & CO. (US) 1993-06-01 US disclosed
US-5212174-A Renin inhibitors for hypotensive agents G. D. SEARLE & CO. (US) 1993-05-18 US disclosed
US-5210095-A Renin inhibiting compound for treatment of hypertension G. D. SEARLE & CO. (US) 1993-05-11 US disclosed
US-5180725-A Renin inhibitors G. D. SEARLE & CO. (US) 1993-01-19 US disclosed
US-5180744-A Renin inhibitors; hypotensive agents G. D. SEARLE & CO. (US) 1993-01-19 US disclosed
US-5179102-A Naphthyridinyl/naphthyridinylalkyl-n-terminal anino hydroxy β-amino acid derivatives G. D. SEARLE & CO. (US) 1993-01-12 US disclosed
US-5175181-A Renin inhibitors, hypotensive agents G. D. SEARLE & CO. (US) 1992-12-29 US disclosed
US-5175170-A Renin inhibitors, hypotensive agents G. D. SEARLE & CO. (US) 1992-12-29 US disclosed