SCHEMBL5218271

SCHEMBL5218271

C[C@H](NC[C@@H](OC=O)[C@H](Cc1ccccc1)NC(=O)c1cc(N2CCCC2=O)cc([N+](=O)[O-])c1)C(=O)NC1CCCCC1

nearest known ligand 0.67

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CTSD P07339 20/20 0.67
BACE1 P56817 20/20 0.67
BACE2 Q9Y5Z0 19/20 0.67

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
Formic Acid SCHEMBL5218280 0.90 BACE1 (0.76) CTSDBACE1BACE2
SCHEMBL5220554 0.90 BACE1 (0.80) CTSDBACE1BACE2
SCHEMBL5217672 0.90 BACE1 (0.80) CTSDBACE1BACE2
SCHEMBL5217365 0.88 BACE1 (0.79) CTSDBACE1BACE2
SCHEMBL5219435 0.88 BACE1 (0.79) CTSDBACE1BACE2
SCHEMBL5220254 0.87 CTSD (0.83) CTSDBACE1BACE2
SCHEMBL5221232 0.82 BACE1 (0.93) CTSDBACE1BACE2
SCHEMBL5219934 0.82 BACE1 (0.93) CTSDBACE1BACE2
SCHEMBL5219322 0.82 BACE1 (0.88) CTSDBACE1BACE2
SCHEMBL5219921 0.81 BACE1 (0.85) CTSDBACE1BACE2

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