SCHEMBL15418797

SCHEMBL15418797

NC1=N[C@]2(COC1)c1cc(C3=CCCOC3)ccc1Oc1ccc(-c3cccnc3F)cc12

nearest known ligand 0.70

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 20/20 0.70
CTSD P07339 4/20 0.70
CTSE P14091 1/20 0.66
BACE2 Q9Y5Z0 1/20 0.66

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
SCHEMBL12213450 0.93 BACE1 (0.82) BACE1CTSDCTSEBACE2
SCHEMBL2522247 0.93 BACE1 (0.82) BACE1CTSDCTSEBACE2
SCHEMBL2524132 0.92 BACE1 (0.83) BACE1CTSDCTSEBACE2
SCHEMBL2523553 0.92 BACE1 (0.83) BACE1CTSDCTSEBACE2
SCHEMBL2524148 0.89 BACE1 (0.83) BACE1CTSDCTSEBACE2
SCHEMBL2523391 0.89 BACE1 (0.83) BACE1CTSDCTSEBACE2
SCHEMBL2522529 0.87 BACE1 (0.80) BACE1CTSDCTSEBACE2
SCHEMBL2522525 0.87 BACE1 (0.80) BACE1CTSDCTSEBACE2
SCHEMBL2521708 0.84 BACE1 (0.60) BACE1CTSD
SCHEMBL2521701 0.84 BACE1 (0.60) BACE1CTSD

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
EP-2547686-B1 AMINO-DIHYDROOXAZINE AND AMINO-DIHYDROTHIAZINE SPIRO COMPOUNDS AS BETA-SECRETASE MODULATORS AND THEIR MEDICAL USE AMGEN INC (US) 2014-01-22 EP disclosed