SCHEMBL6895439

SCHEMBL6895439

CC(C)(C)C(N)[C@H](O)[C@H](Cc1cc(F)cc(F)c1)NC(=O)O

nearest known ligand 0.41

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 20/20 0.41
CTSD P07339 16/20 0.41

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
SCHEMBL5377725 0.84 BACE1 (0.41) BACE1CTSD
SCHEMBL5369030 0.78 BACE1 (0.39) BACE1CTSD
SCHEMBL3172234 0.76 BACE1 (0.42) BACE1CTSD
SCHEMBL3172226 0.76 BACE1 (0.42) BACE1CTSD
Acetic Acid SCHEMBL3351741 0.76 BACE1 (0.45) BACE1CTSD
SCHEMBL6345297 0.75 BACE1 (0.41) BACE1CTSD
SCHEMBL4826102 0.75 BACE1 (0.43) BACE1CTSD
SCHEMBL5381675 0.74 BACE1 (0.45) BACE1CTSD
SCHEMBL3353623 0.73 BACE1 (0.42) BACE1CTSD
SCHEMBL3349585 0.73 BACE1 (0.42) BACE1CTSD

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2004502669-A 2004-01-29 JP claimed
EP-1353898-A2 COMPOUNDS TO TREAT ALZHEIMER'S DISEASE Elan Pharmaceuticals, Inc. (US) 2003-10-22 EP claimed
WO-2002002512-A2 COMPOUNDS TO TREAT ALZHEIMER'S DISEASE ELAN PHARMACEUTICALS, INC. (US) 2002-01-10 WO claimed