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SCHEMBL10444396

SCHEMBL10444396

CC(=O)N(C1COc2ccc(C(=O)O)cc21)[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)CC(=O)NCC(C)C

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 3/20 0.53
▸ REN P00797 16/20 0.49
▸ PSEN1 P49768 1/20 0.47
▸ PSEN2 P49810 1/20 0.47
▸ APH1B Q8WW43 1/20 0.47
▸ NCSTN Q92542 1/20 0.47
▸ APH1A Q96BI3 1/20 0.47
▸ PSENEN Q9NZ42 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
SCHEMBL10444395 1.00 BACE1 (0.53) BACE1RENPSEN1PSEN2APH1B
SCHEMBL10444211 0.93 REN (0.50) BACE1RENPSEN1PSEN2APH1B
SCHEMBL10443626 0.93 REN (0.54) BACE1RENPSEN1PSEN2APH1B
SCHEMBL10443765 0.93 REN (0.49) BACE1RENPSEN1PSEN2APH1B
Water SCHEMBL10444245 0.92 BACE1 (0.49) BACE1RENPSEN1PSEN2APH1B
SCHEMBL10444159 0.92 REN (0.50) BACE1RENPSEN1PSEN2APH1B
Hydrochloric Acid SCHEMBL10443812 0.91 REN (0.48) BACE1RENPSEN1PSEN2APH1B
Water SCHEMBL10443521 0.91 REN (0.48) BACE1RENPSEN1PSEN2APH1B
Water SCHEMBL10443800 0.91 REN (0.49) BACE1RENPSEN1PSEN2APH1B
SCHEMBL10443940 0.90 REN (0.50) BACE1RENPSEN1PSEN2APH1B

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-0350163-A2 Renin inhibitory peptides BEECHAM GROUP PLC (GB) 1990-01-10 — — EP disclosed
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