SCHEMBL7301543

SCHEMBL7301543

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

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 10/20 0.52
PSEN2 P49810 10/20 0.52
APH1B Q8WW43 10/20 0.52
NCSTN Q92542 10/20 0.52
APH1A Q96BI3 10/20 0.52
PSENEN Q9NZ42 10/20 0.52
APP P05067 1/20 0.52
KLK5 Q9Y337 1/20 0.50
BACE1 P56817 4/20 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
SCHEMBL7299787 0.86 PSEN1 (0.59) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7301992 0.84 PSEN1 (0.57) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7293459 0.83 PSEN1 (0.56) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7301640 0.82 PSEN1 (0.53) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7293182 0.81 BACE1 (0.63) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7296546 0.80 APP (0.53) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7302109 0.79 PSEN1 (0.53) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7302352 0.78 PSEN1 (0.51) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7301536 0.78 PSEN1 (0.54) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7294584 0.78 PSEN1 (0.71) PSEN1PSEN2APH1BNCSTNAPH1A

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