SCHEMBL297041

SCHEMBL297041

CN1C(=O)C[C@@](C)(c2cccc(NC(=O)c3ncc(Cl)cc3Cl)c2)N=C1N

nearest known ligand 0.79

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 20/20 0.79
CYP2D6 P10635 1/20 0.52

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
SCHEMBL12301580 1.00 BACE1 (0.79) BACE1CYP2D6
SCHEMBL12301374 0.93 BACE1 (0.79) BACE1
SCHEMBL298635 0.93 BACE1 (0.79) BACE1
SCHEMBL13028270 0.89 BACE1 (0.73) BACE1
SCHEMBL287454 0.89 BACE1 (0.68) BACE1
SCHEMBL7940225 0.89 BACE1 (0.68) BACE1
SCHEMBL12301583 0.89 BACE1 (0.68) BACE1
SCHEMBL298636 0.88 BACE1 (0.71) BACE1
SCHEMBL12301579 0.88 BACE1 (1.00) BACE1
SCHEMBL7940954 0.88 BACE1 (0.83) 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 3 patents. 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 claimed
US-8461160-B2 Dihydropyrimidinones HOFFMANN-LA ROCHE, INC. (US) 2013-06-11 US disclosed
EP-2427437-A1 DIHYDROPYRIMIDINONES FOR USE AS BACE2 INHIBITORS F. Hoffmann-La Roche AG (CH) 2012-03-14 EP disclosed