SCHEMBL1978595

SCHEMBL1978595

CC[C@@]1(c2cc(NC(=O)c3ccc(Cl)cn3)ccc2F)CCN=C(N)O1

nearest known ligand 0.60

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 20/20 0.60
BACE2 Q9Y5Z0 5/20 0.60
CTSD P07339 1/20 0.58

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
SCHEMBL1979859 0.89 BACE1 (0.61) BACE1BACE2CTSD
SCHEMBL1980140 0.89 BACE1 (0.61) BACE1BACE2
SCHEMBL1979164 0.87 BACE1 (0.59) BACE1BACE2CTSD
SCHEMBL1977845 0.87 BACE1 (0.67) BACE1BACE2CTSD
SCHEMBL1978632 0.84 BACE1 (0.53) BACE1BACE2CTSD
SCHEMBL1978950 0.84 BACE1 (0.61) BACE1BACE2
SCHEMBL1978958 0.81 BACE1 (0.48) BACE1BACE2CTSD
SCHEMBL1441018 0.80 BACE1 (0.63) BACE1BACE2CTSD
SCHEMBL1978992 0.79 BACE1 (0.65) BACE1BACE2
SCHEMBL1979181 0.79 BACE1 (0.63) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011070029-A1 AMINO OXAZINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2011-06-16 WO claimed
WO-2011070029-A1 AMINO OXAZINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2011-06-16 WO disclosed