SCHEMBL1978259

SCHEMBL1978259

C[C@@]1(c2cc(NC(=O)c3ccccn3)ccc2F)CCN=C(N)O1

nearest known ligand 0.62

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 17/20 0.62
BACE2 Q9Y5Z0 4/20 0.62
GRM4 Q14833 3/20 0.51

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
SCHEMBL1977847 0.89 BACE1 (0.55) BACE1BACE2
SCHEMBL1977793 0.89 BACE1 (0.57) BACE1BACE2
SCHEMBL1979164 0.87 BACE1 (0.59) BACE1BACE2GRM4
SCHEMBL1980219 0.87 BACE1 (0.56) BACE1BACE2
SCHEMBL1978992 0.86 BACE1 (0.65) BACE1BACE2
SCHEMBL1977845 0.86 BACE1 (0.67) BACE1BACE2
SCHEMBL1979071 0.86 BACE1 (0.47) BACE1BACE2
SCHEMBL1979181 0.85 BACE1 (0.63) BACE1BACE2
SCHEMBL1979743 0.85 BACE1 (0.57) BACE1BACE2
SCHEMBL1983963 0.85 BACE1 (0.57) BACE1BACE2GRM4

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