SCHEMBL14808232

SCHEMBL14808232

NC1=NCC[C@]2(O1)c1cc(N)ccc1Oc1cnc(C3=CCCOC3)cc12

nearest known ligand 0.50

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 20/20 0.50
CTSD P07339 4/20 0.50
KCNH2 Q12809 1/20 0.45
CTSE P14091 1/20 0.38
BACE2 Q9Y5Z0 1/20 0.38

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
SCHEMBL15717306 0.85 BACE1 (0.49) BACE1CTSDKCNH2
SCHEMBL2370573 0.85 BACE1 (0.54) BACE1CTSDKCNH2CTSEBACE2
SCHEMBL2370746 0.84 BACE1 (0.72) BACE1CTSDCTSEBACE2
SCHEMBL14807949 0.83 BACE1 (0.52) BACE1CTSDCTSEBACE2
SCHEMBL16109481 0.82 BACE1 (0.68) BACE1CTSDKCNH2CTSEBACE2
SCHEMBL16109631 0.82 BACE1 (0.68) BACE1CTSDKCNH2CTSEBACE2
SCHEMBL14808412 0.81 BACE1 (0.74) BACE1KCNH2
SCHEMBL15717046 0.78 BACE1 (0.42) BACE1CTSD
SCHEMBL14808434 0.78 BACE1 (0.42) BACE1CTSD
SCHEMBL14808534 0.78 BACE1 (0.76) BACE1KCNH2

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
EP-2758406-A1 AMINO-OXAZINES AND AMINO-DIHYDROTHIAZINE COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE Amgen Inc. (US) 2014-07-30 EP disclosed
WO-2013044092-A1 AMINO-OXAZINES AND AMINO-DIHYDROTHIAZINE COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE AMGEN INC. (US) 2013-03-28 WO disclosed