SCHEMBL15418909

SCHEMBL15418909

CC(C)(C)OC(=O)NC1=N[C@]2(COC1)c1cc(O)ccc1Oc1ccc(-c3cccnc3F)cc12

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 20/20 0.48
CTSD P07339 8/20 0.47
KCNH2 Q12809 1/20 0.44
BACE2 Q9Y5Z0 1/20 0.43

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
SCHEMBL15418908 1.00 BACE1 (0.48) BACE1CTSDKCNH2BACE2
SCHEMBL2371429 0.90 BACE1 (0.46) BACE1CTSDKCNH2BACE2
SCHEMBL2371419 0.90 BACE1 (0.46) BACE1CTSDKCNH2BACE2
SCHEMBL2521694 0.88 BACE1 (0.49) BACE1CTSDKCNH2BACE2
SCHEMBL2521696 0.88 BACE1 (0.49) BACE1CTSDKCNH2BACE2
SCHEMBL2521701 0.79 BACE1 (0.60) BACE1CTSD
SCHEMBL2521708 0.79 BACE1 (0.60) BACE1CTSD
SCHEMBL2524125 0.78 BACE1 (0.36) BACE1
SCHEMBL2524126 0.78 BACE1 (0.36) BACE1
SCHEMBL11894446 0.77 BACE1 (0.44) BACE1CTSDKCNH2BACE2

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
US-9012446-B2 Amino-oxazines and amino-dihydrothiazine compounds as beta-secretase modulators and methods of use AMGEN INC. (US) 2015-04-21 US disclosed
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