SCHEMBL5220817

SCHEMBL5220817

CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CCC(F)(F)CC1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KLK5 Q9Y337 3/20 0.56
BACE1 P56817 8/20 0.52
PSEN1 P49768 3/20 0.51
PSEN2 P49810 3/20 0.51
APH1B Q8WW43 3/20 0.51
NCSTN Q92542 3/20 0.51
APH1A Q96BI3 3/20 0.51
PSENEN Q9NZ42 3/20 0.51
REN P00797 4/20 0.47
APP P05067 1/20 0.46
ATM Q13315 1/20 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
SCHEMBL5223543 0.91 KLK5 (0.57) KLK5BACE1PSEN1PSEN2APH1B
SCHEMBL5928550 0.91 KLK5 (0.60) KLK5BACE1PSEN1PSEN2APH1B
SCHEMBL5221574 0.89 KLK5 (0.60) KLK5BACE1PSEN1PSEN2APH1B
SCHEMBL5221580 0.89 KLK5 (0.60) KLK5BACE1PSEN1PSEN2APH1B
SCHEMBL5222893 0.88 KLK5 (0.59) KLK5BACE1PSEN1PSEN2APH1B
SCHEMBL5222884 0.88 KLK5 (0.59) KLK5BACE1PSEN1PSEN2APH1B
SCHEMBL6205577 0.88 KLK5 (0.59) KLK5BACE1PSEN1PSEN2APH1B
SCHEMBL5391812 0.86 KLK5 (0.55) KLK5BACE1PSEN1PSEN2APH1B
SCHEMBL5390340 0.86 KLK5 (0.55) KLK5BACE1ATM
SCHEMBL5391805 0.86 KLK5 (0.55) KLK5BACE1PSEN1PSEN2APH1B

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