SCHEMBL10444547

SCHEMBL10444547

CC(C)CNC(=O)C[C@H](OC(=O)C(F)(F)F)[C@H](CC1CCCCC1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)Cc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 18/20 0.49
▸ 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
▸ BACE1 P56817 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
Trifluoroacetic Acid SCHEMBL10444549 0.89 REN (0.57) RENPSEN1PSEN2APH1BNCSTN
SCHEMBL10443609 0.86 REN (0.61) RENPSEN1PSEN2APH1BNCSTN
SCHEMBL10443607 0.86 REN (0.61) RENPSEN1PSEN2APH1BNCSTN
SCHEMBL10444511 0.77 REN (0.71) REN
SCHEMBL10444086 0.77 REN (0.71) REN
Trifluoroacetic Acid SCHEMBL10444546 0.76 PSEN1 (0.53) RENPSEN1PSEN2APH1BNCSTN
SCHEMBL7269492 0.75 REN (0.57) RENPSEN1PSEN2APH1BNCSTN
SCHEMBL7269499 0.75 REN (0.57) RENPSEN1PSEN2APH1BNCSTN
Water SCHEMBL10443791 0.75 REN (0.41) REN
SCHEMBL7431995 0.74 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 disclosed
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