SCHEMBL10270982

SCHEMBL10270982

COC1CCC2(CC1)Cc1ccc(-c3cncc(C)c3)cc1[C@]21N=C(C)C(N)=N1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 20/20 1.00
APP P05067 18/20 1.00
CTSD P07339 1/20 0.80
BACE2 Q9Y5Z0 1/20 0.80

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
SCHEMBL9948570 1.00 BACE1 (1.00) BACE1APPCTSDBACE2
SCHEMBL9948336 1.00 BACE1 (1.00) BACE1APPCTSDBACE2
SCHEMBL10271125 1.00 BACE1 (1.00) BACE1APPCTSDBACE2
SCHEMBL9948571 1.00 BACE1 (1.00) BACE1APPCTSDBACE2
SCHEMBL9948777 0.91 BACE1 (1.00) BACE1APPCTSDBACE2
SCHEMBL9947965 0.91 BACE1 (1.00) BACE1APPCTSDBACE2
SCHEMBL9947962 0.91 BACE1 (1.00) BACE1APPCTSDBACE2
SCHEMBL9948775 0.91 BACE1 (1.00) BACE1APPCTSDBACE2
SCHEMBL9947887 0.91 BACE1 (1.00) BACE1APPCTSDBACE2
SCHEMBL9947885 0.91 BACE1 (1.00) BACE1APPCTSDBACE2

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
WO-2012087237-A1 COMPOUNDS AND THEIR USE AS BACE INHIBITORS ASTRAZENECA AB (SE) 2012-06-28 WO disclosed