SCHEMBL21654366

SCHEMBL21654366

CO[C@H]1CC[C@]2(CC1)Cc1ccc(C#CC3CC3)cc1C2/C=N/[S+]([O-])C(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 20/20 0.41
APP P05067 4/20 0.41

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
SCHEMBL15188860 0.79 BACE1 (0.43) BACE1APP
SCHEMBL21654309 0.78 BACE1 (0.42) BACE1APP
SCHEMBL20467074 0.78 BACE1 (0.42) BACE1APP
SCHEMBL21654296 0.77 BACE1 (0.44) BACE1APP
SCHEMBL14727560 0.76 BACE1 (0.48) BACE1APP
SCHEMBL9948747 0.76 BACE1 (0.44) BACE1APP
SCHEMBL14845678 0.76 BACE1 (0.44) BACE1APP
SCHEMBL15168930 0.76 BACE1 (0.44) BACE1APP
SCHEMBL9948749 0.76 BACE1 (0.44) BACE1APP
SCHEMBL10249928 0.76 BACE1 (0.44) BACE1APP

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-B1 SPIROIMIDAZOLE COMPOUNDS AND THEIR USE AS BACE INHIBITORS ASTRAZENECA AB (SE) 2020-01-29 EP disclosed