SCHEMBL6937583

SCHEMBL6937583

Cc1ccc(C(=O)Nc2ccc(F)c(C3(C)COCC(N)=N3)c2)nc1

nearest known ligand 0.84

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 20/20 0.84
APP P05067 1/20 0.81
BACE2 Q9Y5Z0 1/20 0.65

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
SCHEMBL1173499 0.91 BACE1 (1.00) BACE1APP
SCHEMBL363124 0.91 BACE1 (1.00) BACE1APP
SCHEMBL1910632 0.91 BACE1 (0.86) BACE1APP
SCHEMBL360663 0.91 BACE1 (1.00) BACE1APP
SCHEMBL1173050 0.91 BACE1 (0.86) BACE1APPBACE2
SCHEMBL362848 0.90 BACE1 (1.00) BACE1APPBACE2
SCHEMBL1910354 0.90 BACE1 (1.00) BACE1APP
SCHEMBL15703862 0.88 BACE1 (0.85) BACE1APPBACE2
SCHEMBL7710733 0.88 BACE1 (0.85) BACE1APPBACE2
SCHEMBL1173350 0.87 BACE1 (1.00) BACE1APPBACE2

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