SCHEMBL15419004

SCHEMBL15419004

N#Cc1cccc(-c2ccc3c(c2)[C@@]2(CCOC(N)=N2)c2cc(C4=CCCOC4)nc(F)c2O3)c1

nearest known ligand 0.67

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 20/20 0.67
CTSD P07339 3/20 0.62
CTSE P14091 1/20 0.62
BACE2 Q9Y5Z0 1/20 0.62

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
SCHEMBL15418736 1.00 BACE1 (0.67) BACE1CTSDCTSEBACE2
SCHEMBL15418806 0.89 BACE1 (0.66) BACE1CTSDCTSEBACE2
SCHEMBL15418954 0.89 BACE1 (0.66) BACE1CTSDCTSEBACE2
SCHEMBL16109699 0.86 BACE1 (0.68) BACE1CTSDCTSEBACE2
SCHEMBL16109701 0.86 BACE1 (0.68) BACE1CTSDCTSEBACE2
SCHEMBL15418692 0.84 BACE1 (0.65) BACE1CTSDCTSEBACE2
SCHEMBL15418716 0.84 BACE1 (0.65) BACE1CTSDCTSEBACE2
SCHEMBL15418817 0.83 BACE1 (0.68) BACE1CTSD
SCHEMBL15418849 0.83 BACE1 (0.87) BACE1CTSDCTSEBACE2
SCHEMBL15418832 0.83 BACE1 (0.68) 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