SCHEMBL10443729

SCHEMBL10443729

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

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 19/20 0.43
▸ PSEN1 P49768 1/20 0.37
▸ PSEN2 P49810 1/20 0.37
▸ APH1B Q8WW43 1/20 0.37
▸ NCSTN Q92542 1/20 0.37
▸ APH1A Q96BI3 1/20 0.37
▸ PSENEN Q9NZ42 1/20 0.37

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
SCHEMBL10444647 0.88 REN (0.43) RENPSEN1PSEN2APH1BNCSTN
SCHEMBL10443849 0.86 REN (0.41) RENPSEN1PSEN2APH1BNCSTN
Hydrochloric Acid SCHEMBL10444382 0.80 REN (0.39) REN
Water SCHEMBL10443597 0.80 REN (0.38) REN
SCHEMBL10443942 0.79 REN (0.57) RENPSEN1PSEN2APH1BNCSTN
SCHEMBL10444090 0.79 REN (0.59) RENPSEN1PSEN2APH1BNCSTN
SCHEMBL10444130 0.79 REN (0.38) REN
SCHEMBL10443893 0.79 REN (0.57) RENPSEN1PSEN2APH1BNCSTN
Water SCHEMBL10443983 0.78 REN (0.56) RENPSEN1PSEN2APH1BNCSTN
Hydrochloric Acid SCHEMBL10444284 0.78 REN (0.56) 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 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 claimed
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