SCHEMBL17169367

SCHEMBL17169367

COc1cnc(C(=O)Nc2ccc(F)c(C(I)[C@@H](F)[C@H](OC(=N)N)[C@H](C)F)c2)cn1

nearest known ligand 0.48

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 20/20 0.48
BACE2 Q9Y5Z0 1/20 0.46

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
SCHEMBL17169373 0.83 BACE1 (0.49) BACE1BACE2
SCHEMBL16026324 0.82 BACE1 (0.50) BACE1BACE2
SCHEMBL18636709 0.80 BACE1 (0.48) BACE1BACE2
SCHEMBL13193804 0.79 BACE1 (0.59) BACE1BACE2
SCHEMBL16485640 0.77 BACE1 (0.48) BACE1BACE2
SCHEMBL18636879 0.76 BACE1 (0.50) BACE1BACE2
SCHEMBL10193244 0.76 BACE1 (0.53) BACE1BACE2
SCHEMBL18636980 0.75 BACE1 (0.48) BACE1BACE2
SCHEMBL15704711 0.75 BACE1 (0.49) BACE1BACE2
SCHEMBL10193209 0.74 BACE1 (0.53) 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