SCHEMBL6937604

SCHEMBL6937604

C=C(Nc1ccc(F)c([C@]2(C(F)F)COCC(N)=N2)c1)c1ccc(OCCOC)cn1

nearest known ligand 0.85

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 20/20 0.85
BACE2 Q9Y5Z0 1/20 0.63

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
SCHEMBL362604 0.92 BACE1 (1.00) BACE1
SCHEMBL362470 0.92 BACE1 (1.00) BACE1
SCHEMBL362942 0.84 BACE1 (1.00) BACE1
SCHEMBL362451 0.84 BACE1 (1.00) BACE1
SCHEMBL361046 0.84 BACE1 (1.00) BACE1
SCHEMBL363779 0.84 BACE1 (1.00) BACE1
SCHEMBL6934587 0.84 BACE1 (1.00) BACE1
SCHEMBL362607 0.84 BACE1 (1.00) BACE1
SCHEMBL361832 0.83 BACE1 (1.00) BACE1
SCHEMBL363028 0.83 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