SCHEMBL15418672

SCHEMBL15418672

NC1=N[C@@]2(COC1)c1cc(-c3cccnc3)ccc1Oc1c2cc(C2=CCCOC2)nc1F

nearest known ligand 0.64

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 20/20 0.64
CTSD P07339 3/20 0.64
CTSE P14091 1/20 0.64
BACE2 Q9Y5Z0 1/20 0.64

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
SCHEMBL2383423 0.91 BACE1 (0.78) BACE1CTSDCTSEBACE2
SCHEMBL2521170 0.89 BACE1 (0.62) BACE1CTSDCTSEBACE2
SCHEMBL2521167 0.89 BACE1 (0.62) BACE1CTSDCTSEBACE2
SCHEMBL2523391 0.88 BACE1 (0.83) BACE1CTSDCTSEBACE2
SCHEMBL2524148 0.88 BACE1 (0.83) BACE1CTSDCTSEBACE2
SCHEMBL15418927 0.82 BACE1 (0.79) BACE1CTSDCTSEBACE2
SCHEMBL15418752 0.80 BACE1 (0.58) BACE1CTSDCTSEBACE2
SCHEMBL2382805 0.78 BACE1 (1.00) BACE1CTSDCTSEBACE2
SCHEMBL2522247 0.78 BACE1 (0.82) BACE1CTSDCTSEBACE2
SCHEMBL2517963 0.78 BACE1 (1.00) BACE1CTSDCTSEBACE2

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