SCHEMBL297840

SCHEMBL297840

CC[C@@]1(c2cccc(NC(=O)S3(Cl)C=CC=C3)c2)CC(=O)N(C)C(N)=N1

nearest known ligand 0.50

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 20/20 0.50
BACE2 Q9Y5Z0 5/20 0.42

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
SCHEMBL297469 0.81 BACE1 (0.60) BACE1
SCHEMBL13028246 0.80 BACE1 (0.59) BACE1BACE2
SCHEMBL297136 0.80 BACE1 (0.48) BACE1BACE2
SCHEMBL298186 0.79 BACE1 (0.63) BACE1
SCHEMBL296989 0.79 BACE1 (0.76) BACE1
SCHEMBL7858926 0.79 BACE1 (0.62) BACE1BACE2
SCHEMBL298100 0.79 BACE1 (0.53) BACE1BACE2
SCHEMBL7861170 0.78 BACE1 (0.54) BACE1
SCHEMBL298872 0.77 BACE1 (0.62) BACE1
SCHEMBL287028 0.77 BACE1 (0.60) BACE1BACE2

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-2427437-A1 DIHYDROPYRIMIDINONES FOR USE AS BACE2 INHIBITORS F. Hoffmann-La Roche AG (CH) 2012-03-14 EP disclosed