SCHEMBL299017

SCHEMBL299017

CN1C(=O)C[C@@](C)(c2cccc(NC(=O)N3CC=CC(Cl)=C3C(F)(F)F)c2)N=C1N

nearest known ligand 0.58

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 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
SCHEMBL298988 0.89 BACE1 (0.61) BACE1
SCHEMBL299275 0.85 BACE1 (0.64) BACE1
SCHEMBL297214 0.84 BACE1 (0.55) BACE1
SCHEMBL7944669 0.79 BACE1 (0.66) BACE1
SCHEMBL298007 0.78 BACE1 (0.60) BACE1
SCHEMBL298202 0.78 BACE1 (0.56) BACE1
SCHEMBL7865317 0.78 BACE1 (0.57) BACE1
SCHEMBL296955 0.78 BACE1 (0.55) BACE1
SCHEMBL298086 0.78 BACE1 (0.55) BACE1
SCHEMBL287479 0.77 BACE1 (0.79) BACE1

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