SCHEMBL10271082

SCHEMBL10271082

CN1C(=O)[C@]2(N=C1N)c1cc(-c3cc(F)cc(Cl)c3)ccc1OC1CCCOC12C

nearest known ligand 0.58

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 20/20 0.58
CTSD P07339 10/20 0.58

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
SCHEMBL10209613 1.00 BACE1 (0.58) BACE1CTSD
SCHEMBL892457 1.00 BACE1 (0.58) BACE1CTSD
SCHEMBL10271085 0.88 BACE1 (0.58) BACE1CTSD
SCHEMBL892349 0.88 BACE1 (0.58) BACE1CTSD
SCHEMBL10209620 0.88 BACE1 (0.58) BACE1CTSD
SCHEMBL892334 0.88 BACE1 (0.58) BACE1CTSD
SCHEMBL10209726 0.88 BACE1 (0.58) BACE1CTSD
SCHEMBL10209616 0.84 BACE1 (0.70) BACE1CTSD
SCHEMBL10266488 0.84 BACE1 (0.70) BACE1CTSD
SCHEMBL892065 0.84 BACE1 (0.70) BACE1CTSD

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-2012040641-A2 COMPOUNDS FOR TREATING NEURODEGENERATIVE DISEASES ARRAY BIOPHARMA INC. (US) 2012-03-29 WO disclosed