SCHEMBL298397

SCHEMBL298397

CCC[C@@]1(c2cccc(NC(=O)N3CC=CC=C3Cl)c2)CC(=O)N(C)C(N)=N1

nearest known ligand 0.47

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 20/20 0.47
BACE2 Q9Y5Z0 5/20 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
SCHEMBL297136 0.93 BACE1 (0.48) BACE1BACE2
SCHEMBL299275 0.85 BACE1 (0.64) BACE1
SCHEMBL298944 0.85 BACE1 (0.43) BACE1BACE2
SCHEMBL298690 0.83 BACE1 (0.41) BACE1BACE2
SCHEMBL298167 0.80 BACE1 (0.73) BACE1
SCHEMBL297999 0.79 BACE1 (0.58) BACE1BACE2
SCHEMBL298465 0.79 BACE1 (0.53) BACE1BACE2
SCHEMBL299215 0.78 BACE1 (0.50) BACE1BACE2
SCHEMBL297946 0.78 BACE1 (0.41) BACE1BACE2
SCHEMBL298170 0.78 BACE1 (0.57) 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