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SCHEMBL10766602

SCHEMBL10766602

CCCCC(=O)N(Cc1ccccc1)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

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PSEN1 P49768 11/20 0.54
▸ PSEN2 P49810 11/20 0.54
▸ APH1B Q8WW43 11/20 0.54
▸ NCSTN Q92542 11/20 0.54
▸ APH1A Q96BI3 11/20 0.54
▸ PSENEN Q9NZ42 11/20 0.54
▸ REN P00797 8/20 0.53

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
SCHEMBL10765249 0.94 REN (0.52) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL10765096 0.86 REN (0.57) REN
SCHEMBL10659915 0.84 PSEN1 (0.59) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL10661503 0.83 PSEN1 (0.57) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL10766607 0.83 PSEN1 (0.44) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL10706039 0.83 PSEN1 (0.60) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL10525394 0.81 REN (0.57) REN
SCHEMBL10766672 0.81 REN (0.45) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL10421165 0.81 REN (0.56) REN
SCHEMBL10763972 0.81 REN (0.56) REN

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-0223437-A2 Aminocarbonyl renin inhibitors E.R. Squibb & Sons, Inc. (US) 1987-05-27 — — EP claimed
EP-0223437-A2 Aminocarbonyl renin inhibitors E.R. Squibb & Sons, Inc. (US) 1987-05-27 — — EP disclosed
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