SCHEMBL5222715

SCHEMBL5222715

COc1cccc(C(C)(C)NC[C@@H](O)[C@@H](N)Cc2ccccc2)c1

nearest known ligand 0.58

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CTSD P07339 20/20 0.58

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
Hydrochloric Acid SCHEMBL23532657 0.90 CTSD (0.50) CTSD
Hydrochloric Acid SCHEMBL23532658 0.90 CTSD (0.50) CTSD
SCHEMBL5224458 0.85 BACE1 (0.56) CTSD
SCHEMBL5225340 0.85 CASR (0.52) CTSD
SCHEMBL5223874 0.84 HTR2A (0.47) CTSD
SCHEMBL18767257 0.81 CTSD (0.68) CTSD
SCHEMBL5383209 0.81 CTSD (0.56) CTSD
SCHEMBL5383205 0.80 CTSD (0.83) CTSD
SCHEMBL5928484 0.79 CTSD (0.53) CTSD
SCHEMBL165644 0.79 BCHE (0.61) CTSD

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
WO-2017066742-A1 BACE-2 INHIBITORY COMPOUNDS AND RELATED METHODS OF USE JORTAN PHARMACEUTICALS INC. (US) 2017-04-20 WO disclosed
EP-1567488-B1 HYDROXYETHYLAMINE DERIVATIVES FOR THE TREATMENT OF ALZHEIMER'S DISEASE GLAXO GROUP LTD (GB) 2007-02-21 EP disclosed