SCHEMBL5222018

SCHEMBL5222018

CC(C)COCC(C)(C)NC[C@@H](O)[C@@H](N)Cc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSD P07339 1/20 0.44
BACE1 P56817 1/20 0.44
BACE2 Q9Y5Z0 1/20 0.44
CASR P41180 4/20 0.43
LAP3 P28838 4/20 0.43
ANPEP P15144 1/20 0.43
RNPEP Q9H4A4 1/20 0.43
DNPEP Q9ULA0 1/20 0.43
KDM4E B2RXH2 1/20 0.42
CSNK1E P49674 1/20 0.41
TACR1 P25103 1/20 0.40
F2 P00734 2/20 0.40
REN P00797 1/20 0.37

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
SCHEMBL5225738 0.88 CASR (0.46) CASRLAP3ANPEPRNPEPDNPEP
SCHEMBL5219338 0.83 CSNK1E (0.40) CASRLAP3ANPEPRNPEPDNPEP
SCHEMBL5225568 0.82 CASR (0.46) CASRLAP3ANPEPRNPEPDNPEP
SCHEMBL5217674 0.82 CSNK1E (0.49) CASRLAP3ANPEPRNPEPDNPEP
SCHEMBL5396321 0.80 CSNK1E (0.51) CASRLAP3ANPEPRNPEPDNPEP
SCHEMBL4693472 0.80 LAP3 (0.50) CTSDBACE1BACE2CASRLAP3
Hydrochloric Acid SCHEMBL5217528 0.79 CSNK1E (0.50) CASRLAP3ANPEPRNPEPDNPEP
SCHEMBL5218444 0.79 CSNK1E (0.47) BACE1CASRLAP3ANPEPRNPEP
Hydrochloric Acid SCHEMBL5222718 0.79 LAP3 (0.49) CTSDBACE1BACE2CASRLAP3
SCHEMBL5220211 0.79 BACE1 (0.44) CTSDBACE1BACE2CASRKDM4E

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