SCHEMBL360979

SCHEMBL360979

NC1=NC(c2cc(NC(=O)c3ccc(Cl)cn3)ccc2F)(C(F)(F)F)COC1

nearest known ligand 0.74

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 20/20 0.74
APP P05067 1/20 0.61

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
SCHEMBL16390593 0.87 BACE1 (0.57) BACE1
SCHEMBL1910411 0.85 BACE1 (1.00) BACE1APP
SCHEMBL360663 0.85 BACE1 (1.00) BACE1APP
SCHEMBL1173499 0.85 BACE1 (1.00) BACE1APP
SCHEMBL7686334 0.84 BACE1 (0.84) BACE1APP
SCHEMBL361728 0.83 BACE1 (1.00) BACE1
SCHEMBL1173053 0.83 BACE1 (0.79) BACE1APP
SCHEMBL361102 0.83 BACE1 (1.00) BACE1
SCHEMBL362158 0.83 BACE1 (1.00) BACE1
SCHEMBL360873 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 2 patents. 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 claimed
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