SCHEMBL18926469

SCHEMBL18926469

CC1=N[C@@]2(CC3(CCCOC3)Oc3ccc(Br)cc32)N=C1N

nearest known ligand 0.69

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 13/20 0.69
APP P05067 10/20 0.69

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
SCHEMBL9948289 1.00 BACE1 (0.69) BACE1APP
SCHEMBL9948123 0.82 BACE1 (1.00) BACE1APP
SCHEMBL9948314 0.81 BACE1 (1.00) BACE1APP
SCHEMBL9948512 0.76 BACE1 (0.42) BACE1APP
SCHEMBL18926521 0.76 BACE1 (0.42) BACE1APP
SCHEMBL9948524 0.76 BACE1 (0.67) BACE1APP
SCHEMBL7948294 0.76 BACE1 (0.47) BACE1APP
SCHEMBL2375777 0.75 BACE1 (0.42) BACE1APP
SCHEMBL7965156 0.74 BACE1 (0.67) BACE1
SCHEMBL7949036 0.74 BACE1 (0.67) 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-3176172-A1 SPIROIMIDAZOLE COMPOUNDS AND THEIR USE AS BACE INHIBITORS Astrazeneca AB (SE) 2017-06-07 EP disclosed