SCHEMBL5222136

SCHEMBL5222136

CCC[C@@H](O)C(NC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NCC(C)C

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 7/20 0.62
BACE2 Q9Y5Z0 5/20 0.62
KLK5 Q9Y337 2/20 0.52
REN P00797 6/20 0.50
APP P05067 1/20 0.48
PSEN1 P49768 1/20 0.48
PSEN2 P49810 1/20 0.48
APH1B Q8WW43 1/20 0.48
NCSTN Q92542 1/20 0.48
APH1A Q96BI3 1/20 0.48
PSENEN Q9NZ42 1/20 0.48

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
SCHEMBL5222139 1.00 BACE1 (0.62) BACE1BACE2KLK5RENAPP
SCHEMBL5222142 1.00 BACE1 (0.62) BACE1BACE2KLK5RENAPP
SCHEMBL5222134 1.00 BACE1 (0.62) BACE1BACE2KLK5RENAPP
SCHEMBL5219586 0.86 REN (0.57) BACE1KLK5RENAPPPSEN1
SCHEMBL5219578 0.86 REN (0.57) BACE1KLK5RENAPPPSEN1
Hydrochloric Acid SCHEMBL5225007 0.80 BACE1 (0.55) BACE1BACE2REN
Hydrochloric Acid SCHEMBL5224998 0.80 BACE1 (0.55) BACE1BACE2REN
Hydrochloric Acid SCHEMBL5224992 0.80 BACE1 (0.55) BACE1BACE2REN
SCHEMBL5387761 0.80 KLK5 (0.59) KLK5APPPSEN1PSEN2APH1B
SCHEMBL5387766 0.80 KLK5 (0.59) KLK5APPPSEN1PSEN2APH1B

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-1567488-B1 HYDROXYETHYLAMINE DERIVATIVES FOR THE TREATMENT OF ALZHEIMER'S DISEASE GLAXO GROUP LTD (GB) 2007-02-21 EP disclosed