SCHEMBL16390752

SCHEMBL16390752

CC1(c2cccc(NC(=O)Oc3coc(C(F)(F)F)c3)c2)COCC(N)=N1

nearest known ligand 0.74

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 20/20 0.74
APP P05067 1/20 0.53

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
SCHEMBL363040 0.85 BACE1 (1.00) BACE1APP
SCHEMBL16390617 0.80 BACE1 (0.75) BACE1APP
SCHEMBL16390857 0.80 BACE1 (0.71) BACE1APP
SCHEMBL16390745 0.80 BACE1 (0.73) BACE1APP
SCHEMBL16390758 0.80 BACE1 (0.73) BACE1APP
SCHEMBL16390615 0.78 BACE1 (0.75) BACE1APP
SCHEMBL16390726 0.78 BACE1 (0.74) BACE1APP
SCHEMBL16390849 0.78 BACE1 (0.74) BACE1APP
SCHEMBL16390707 0.77 BACE1 (0.73) BACE1APP
SCHEMBL16390882 0.77 BACE1 (0.59) BACE1APP

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
EP-2456763-B1 OXAZINE DERIVATIVES AND THEIR USE AS BACE INHIBITORS FOR THE TREATMENT OF NEUROLOGICAL DISORDERS NOVARTIS AG (CH) 2015-01-21 EP claimed