SCHEMBL6934583

SCHEMBL6934583

CCc1cc(OC)cnc1C(=O)Nc1ccc(F)c([C@]2(C(F)F)COCC(N)=N2)c1

nearest known ligand 0.83

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 20/20 0.83

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
SCHEMBL16405823 0.91 BACE1 (0.86) BACE1
SCHEMBL15345222 0.91 BACE1 (0.87) BACE1
SCHEMBL361302 0.91 BACE1 (1.00) BACE1
SCHEMBL361111 0.91 BACE1 (1.00) BACE1
SCHEMBL360320 0.90 BACE1 (1.00) BACE1
SCHEMBL362578 0.90 BACE1 (1.00) BACE1
SCHEMBL15678388 0.88 BACE1 (0.71) BACE1
SCHEMBL15679331 0.87 BACE1 (0.83) BACE1
SCHEMBL363779 0.86 BACE1 (1.00) BACE1
SCHEMBL361046 0.86 BACE1 (1.00) 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
WO-2011009943-A1 OXAZINE DERIVATIVES AND THEIR USE AS BACE INHIBITORS FOR THE TREATMENT OF NEUROLOGICAL DISORDERS NOVARTIS AG (CH) 2011-01-27 WO disclosed