SCHEMBL10443733

SCHEMBL10443733

CC(C)CNC(=O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC(C)C)N(C(=O)C(N)Cc1ccccc1)C(=O)[C@@H]1Cc2ccccc2S1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 18/20 0.45
▸ BACE1 P56817 1/20 0.43
▸ PSEN1 P49768 1/20 0.42
▸ PSEN2 P49810 1/20 0.42
▸ APH1B Q8WW43 1/20 0.42
▸ NCSTN Q92542 1/20 0.42
▸ APH1A Q96BI3 1/20 0.42
▸ PSENEN Q9NZ42 1/20 0.42

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
SCHEMBL10443526 0.86 REN (0.48) RENBACE1PSEN1PSEN2APH1B
SCHEMBL10444534 0.86 REN (0.45) RENBACE1PSEN1PSEN2APH1B
SCHEMBL10444085 0.84 REN (0.56) REN
SCHEMBL10443734 0.82 REN (0.54) RENBACE1PSEN1PSEN2APH1B
SCHEMBL10443609 0.79 REN (0.61) RENBACE1PSEN1PSEN2APH1B
SCHEMBL10443607 0.79 REN (0.61) RENBACE1PSEN1PSEN2APH1B
SCHEMBL10443439 0.78 REN (0.43) RENBACE1
Water SCHEMBL10444424 0.77 REN (0.42) RENBACE1
SCHEMBL10443638 0.77 REN (0.58) RENBACE1PSEN1PSEN2APH1B
Trifluoroacetic Acid SCHEMBL10444549 0.76 REN (0.57) RENBACE1PSEN1PSEN2APH1B

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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