SCHEMBL16390664

SCHEMBL16390664

CC(C)Oc1cnc(OC(=O)Nc2ccc(F)c([C@]3(C(F)F)COCC(N)=N3)c2)cn1

nearest known ligand 0.82

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 20/20 0.82

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
SCHEMBL16390666 0.92 BACE1 (0.80) BACE1
SCHEMBL16390651 0.92 BACE1 (0.74) BACE1
SCHEMBL369973 0.90 BACE1 (1.00) BACE1
SCHEMBL370152 0.90 BACE1 (1.00) BACE1
SCHEMBL16390677 0.90 BACE1 (0.81) BACE1
SCHEMBL16390691 0.90 BACE1 (0.77) BACE1
SCHEMBL16390676 0.90 BACE1 (0.68) BACE1
SCHEMBL16390815 0.89 BACE1 (0.75) BACE1
SCHEMBL16390841 0.88 BACE1 (0.67) BACE1
SCHEMBL16390687 0.87 BACE1 (0.77) 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
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