SCHEMBL286974

SCHEMBL286974

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

nearest known ligand 0.56

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 20/20 0.56

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
SCHEMBL287191 0.91 BACE1 (0.54) BACE1
SCHEMBL287347 0.88 BACE1 (0.53) BACE1
SCHEMBL287226 0.87 BACE1 (0.41) BACE1
SCHEMBL286810 0.84 GRM4 (0.44) BACE1
SCHEMBL286878 0.83 BACE1 (0.57) BACE1
SCHEMBL286902 0.80 BACE1 (0.52) BACE1
SCHEMBL287106 0.77 BACE1 (0.70) BACE1
SCHEMBL297490 0.75 BACE1 (0.70) BACE1
SCHEMBL296989 0.73 BACE1 (0.76) BACE1
SCHEMBL10155222 0.73 BACE1 (0.76) 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