SCHEMBL7293182

SCHEMBL7293182

CC(C)[C@@H](NCc1ccncc1)C(=O)NC(=O)C(Cc1ccccc1)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C

nearest known ligand 0.63

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 17/20 0.63
APP P05067 1/20 0.54
PSEN1 P49768 1/20 0.54
PSEN2 P49810 1/20 0.54
APH1B Q8WW43 1/20 0.54
NCSTN Q92542 1/20 0.54
APH1A Q96BI3 1/20 0.54
PSENEN Q9NZ42 1/20 0.54
KLK5 Q9Y337 1/20 0.52

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
SCHEMBL7299787 0.95 PSEN1 (0.59) BACE1APPPSEN1PSEN2APH1B
SCHEMBL7301640 0.89 PSEN1 (0.53) BACE1APPPSEN1PSEN2APH1B
SCHEMBL7296546 0.89 APP (0.53) BACE1APPPSEN1PSEN2APH1B
SCHEMBL7301992 0.86 PSEN1 (0.57) BACE1APPPSEN1PSEN2APH1B
SCHEMBL7293459 0.85 PSEN1 (0.56) BACE1APPPSEN1PSEN2APH1B
SCHEMBL7324964 0.82 PSEN1 (0.64) BACE1APPPSEN1PSEN2APH1B
SCHEMBL7302352 0.82 PSEN1 (0.51) BACE1APPPSEN1PSEN2APH1B
SCHEMBL7301543 0.81 PSEN1 (0.52) BACE1APPPSEN1PSEN2APH1B
SCHEMBL7302109 0.81 PSEN1 (0.53) BACE1APPPSEN1PSEN2APH1B
SCHEMBL7296354 0.80 PSEN1 (0.49) BACE1APPPSEN1PSEN2APH1B

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-0337714-A2 HIV protease inhibitors useful for the treatment of aids MERCK & CO. INC. (US) 1989-10-18 EP claimed