SCHEMBL6923087

SCHEMBL6923087

C[C@@]1(c2cc(NC(=O)c3ncc(I)cc3F)ccc2F)COCC(N)=N1

nearest known ligand 0.75

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 20/20 0.75
APP P05067 1/20 0.68

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
SCHEMBL6924073 0.91 BACE1 (0.70) BACE1APP
SCHEMBL1173247 0.91 BACE1 (0.77) BACE1APP
SCHEMBL1173426 0.90 BACE1 (0.88) BACE1APP
Hydrochloric Acid SCHEMBL1173394 0.89 BACE1 (0.86) BACE1APP
Hydrochloric Acid SCHEMBL1173579 0.89 BACE1 (0.86) BACE1APP
SCHEMBL6924442 0.88 BACE1 (0.65) BACE1APP
SCHEMBL6924086 0.86 BACE1 (0.83) BACE1APP
SCHEMBL1173421 0.85 BACE1 (1.00) BACE1APP
SCHEMBL1173236 0.85 BACE1 (0.86) BACE1APP
SCHEMBL1173322 0.85 BACE1 (0.81) 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
WO-2011020806-A1 3-AMINO-5-PHENYL-5,6-DIHYDRO-2H-[1,4]OXAZINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2011-02-24 WO disclosed