SCHEMBL6889705

SCHEMBL6889705

C[C@]1(c2cc(NC(=O)c3nn(CC(F)(F)F)cc3I)ccc2F)N=C(N)OCC1(F)F

nearest known ligand 0.67

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 20/20 0.67
BACE2 Q9Y5Z0 20/20 0.67

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
SCHEMBL6889703 0.93 BACE1 (0.68) BACE1BACE2
SCHEMBL6893909 0.91 BACE1 (0.73) BACE1BACE2
SCHEMBL1975434 0.91 BACE1 (0.78) BACE1BACE2
SCHEMBL1975436 0.91 BACE1 (0.78) BACE1BACE2
SCHEMBL6891475 0.86 BACE1 (0.82) BACE1BACE2
SCHEMBL1974237 0.83 BACE1 (0.80) BACE1BACE2
SCHEMBL1974234 0.83 BACE1 (0.80) BACE1BACE2
SCHEMBL1973857 0.82 BACE1 (0.88) BACE1BACE2
SCHEMBL1974128 0.82 BACE1 (0.88) BACE1BACE2
SCHEMBL2587531 0.80 BACE1 (0.68) BACE1BACE2

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-2011069934-A1 2-AMINO-5, 5-DIFLUORO-5, 6-DIHYDRO-4H-OXAZINES AS BACE 1 AND/OR BACE 2 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2011-06-16 WO disclosed