SCHEMBL6925040

SCHEMBL6925040

CC1(C(=O)Nc2ccc(F)c([C@@]3(C)N=C(N)COC3(C)C)c2)CC1

nearest known ligand 0.57

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 20/20 0.57
BACE2 Q9Y5Z0 8/20 0.56

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
SCHEMBL1173143 0.88 BACE1 (0.56) BACE1BACE2
SCHEMBL1173242 0.84 BACE1 (0.59) BACE1BACE2
SCHEMBL1172985 0.82 BACE1 (0.67) BACE1BACE2
SCHEMBL1173170 0.81 BACE1 (0.79) BACE1BACE2
SCHEMBL6924752 0.81 BACE1 (0.69) BACE1BACE2
SCHEMBL8216268 0.78 BACE1 (0.52) BACE1BACE2
SCHEMBL8216270 0.76 BACE1 (0.57) BACE1BACE2
SCHEMBL568171 0.75 BACE2 (0.73) BACE1BACE2
SCHEMBL568172 0.75 BACE2 (0.73) BACE1BACE2
SCHEMBL2592188 0.75 BACE1 (0.78) 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-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