SCHEMBL17169281

SCHEMBL17169281

C[C@]1(c2cc(NC(=O)c3cnc(O)cn3)ccc2F)N=C(N)SCC12CC(F)(F)C2

nearest known ligand 0.78

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 20/20 0.78
BACE2 Q9Y5Z0 7/20 0.78

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
SCHEMBL17169053 0.90 BACE1 (0.77) BACE1BACE2
SCHEMBL18636982 0.89 BACE1 (0.85) BACE1BACE2
SCHEMBL18636705 0.88 BACE1 (1.00) BACE1BACE2
SCHEMBL17169262 0.87 BACE1 (0.75) BACE1BACE2
SCHEMBL17169059 0.87 BACE1 (0.76) BACE1BACE2
SCHEMBL17169054 0.86 BACE1 (0.83) BACE1BACE2
SCHEMBL4078021 0.84 BACE1 (1.00) BACE1BACE2
SCHEMBL4078652 0.81 BACE1 (1.00) BACE1BACE2
SCHEMBL4083464 0.81 BACE1 (0.81) BACE1BACE2
SCHEMBL4083288 0.80 BACE1 (0.84) 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-2015156421-A1 DIHYDROTHIAZINE AND DIHYDROOXAZINE DERIVATIVES HAVING BACE1 INHIBITORY ACTIVITY SHIONOGI & CO., LTD. (JP) 2015-10-15 WO disclosed