SCHEMBL10765249

SCHEMBL10765249

CCCCCN(CC(O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)CCCC

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 15/20 0.52
▸ PSEN1 P49768 4/20 0.49
▸ PSEN2 P49810 4/20 0.49
▸ APH1B Q8WW43 4/20 0.49
▸ NCSTN Q92542 4/20 0.49
▸ APH1A Q96BI3 4/20 0.49
▸ PSENEN Q9NZ42 4/20 0.49

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
SCHEMBL10766602 0.94 PSEN1 (0.54) RENPSEN1PSEN2APH1BNCSTN
SCHEMBL10765096 0.86 REN (0.57) REN
SCHEMBL10766672 0.85 REN (0.45) RENPSEN1PSEN2APH1BNCSTN
SCHEMBL10766670 0.83 REN (0.40) RENPSEN1PSEN2APH1BNCSTN
SCHEMBL10659915 0.82 PSEN1 (0.59) RENPSEN1PSEN2APH1BNCSTN
SCHEMBL10661503 0.81 PSEN1 (0.57) RENPSEN1PSEN2APH1BNCSTN
SCHEMBL10525394 0.81 REN (0.57) REN
SCHEMBL10421165 0.80 REN (0.56) REN
SCHEMBL10763972 0.80 REN (0.56) REN
SCHEMBL10766725 0.80 REN (0.39) 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-0223437-A2 Aminocarbonyl renin inhibitors E.R. Squibb & Sons, Inc. (US) 1987-05-27 — — EP disclosed
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