SCHEMBL287191

SCHEMBL287191

CC[C@]1(c2cccc(NC(=O)c3ccc(F)cn3)c2)N=C(N)NC(=O)C1C

nearest known ligand 0.54

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 18/20 0.54
KCNH2 Q12809 1/20 0.43

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
SCHEMBL286974 0.91 BACE1 (0.56) BACE1
SCHEMBL287347 0.86 BACE1 (0.53) BACE1
SCHEMBL287226 0.83 BACE1 (0.41) BACE1
SCHEMBL286810 0.81 GRM4 (0.44) BACE1
SCHEMBL286902 0.79 BACE1 (0.52) BACE1
SCHEMBL286878 0.74 BACE1 (0.57) BACE1
SCHEMBL7858926 0.73 BACE1 (0.62) BACE1KCNH2
SCHEMBL18636718 0.72 BACE1 (0.61) BACE1KCNH2
SCHEMBL10195125 0.70 BACE1 (1.00) BACE1
SCHEMBL12302128 0.70 BACE1 (0.81) BACE1KCNH2

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