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SCHEMBL10443434

SCHEMBL10443434

CC(C)CNC(=O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CC1COc2ccc([N+](=O)[O-])cc21

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 17/20 0.58
▸ 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
▸ BACE1 P56817 2/20 0.45

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
SCHEMBL10444540 0.91 REN (0.61) RENPSEN1PSEN2APH1BNCSTN
SCHEMBL10443628 0.91 REN (0.66) RENPSEN1PSEN2APH1BNCSTN
SCHEMBL10443676 0.90 REN (0.48) REN
SCHEMBL10444093 0.90 REN (0.48) REN
SCHEMBL10443745 0.90 REN (0.60) RENPSEN1PSEN2APH1BNCSTN
SCHEMBL10443768 0.90 REN (0.60) RENPSEN1PSEN2APH1BNCSTN
SCHEMBL10443368 0.90 REN (0.60) RENPSEN1PSEN2APH1BNCSTN
Water SCHEMBL10443702 0.90 REN (0.47) REN
SCHEMBL10444515 0.90 REN (0.60) RENPSEN1PSEN2APH1BNCSTN
SCHEMBL10444161 0.90 REN (0.60) RENPSEN1PSEN2APH1BNCSTN

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 2 patents. claimed = in the patent's claims; disclosed = body only.

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