SCHEMBL363171

SCHEMBL363171

CC1(c2cc(Br)ccc2F)NC(=NC(=O)O)COCC1(F)F

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 18/20 0.39
APP P05067 1/20 0.35
CTSD P07339 3/20 0.34
BACE2 Q9Y5Z0 3/20 0.32
IDO1 P14902 1/20 0.30
TDO2 P48775 1/20 0.30

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
SCHEMBL363170 1.00 BACE1 (0.39) BACE1APPCTSDBACE2IDO1
SCHEMBL360846 0.86 BACE1 (0.36) BACE1APPCTSD
SCHEMBL360847 0.86 BACE1 (0.36) BACE1APPCTSD
SCHEMBL12273081 0.81 BACE1 (0.39) BACE1APPCTSDBACE2
SCHEMBL362319 0.81 BACE1 (0.39) BACE1APPCTSDBACE2
SCHEMBL360988 0.78 BACE1 (0.37) BACE1APPCTSDBACE2
SCHEMBL362625 0.78 BACE1 (0.37) BACE1APPCTSDBACE2
SCHEMBL1173442 0.67 BACE1 (0.39) BACE1APPCTSDBACE2
SCHEMBL1173165 0.67 BACE1 (0.39) BACE1APPCTSDBACE2
SCHEMBL1173162 0.67 BACE1 (0.39) BACE1APPCTSDBACE2

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
EP-2483255-A1 OXAZINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF NEUROLOGICAL DISORDERS Novartis AG (CH) 2012-08-08 EP disclosed
WO-2012006953-A1 OXAZINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF NEUROLOGICAL DISORDERS NOVARTIS AG (CH) 2012-01-19 WO disclosed