SCHEMBL13069253

SCHEMBL13069253

CN1C(=N)NC(C)(c2cccc(C3=CC(C#N)CC=C3)c2)N(C)C1=O

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 3/20 0.31
BACE2 Q9Y5Z0 1/20 0.31

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
SCHEMBL8248131 0.89
SCHEMBL10084447 0.77 BACE1 (0.48) BACE1BACE2
SCHEMBL8244815 0.74 PGR (0.35) BACE1BACE2
SCHEMBL13069251 0.74
SCHEMBL10074533 0.73 BACE1 (0.42) BACE1BACE2
SCHEMBL8247352 0.73 BACE1 (0.48) BACE1
SCHEMBL8244505 0.72 BACE1 (0.43) BACE1
SCHEMBL8238800 0.71 NR1H2 (0.37) BACE1BACE2
SCHEMBL10074528 0.71 HCAR3 (0.36)
SCHEMBL10074532 0.70 BACE1 (0.34) BACE1

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-1896430-B1 THE PREPARATION AND USE OF COMPOUNDS AS ASPARTYL PROTEASE INHIBITORS SCHERING CORP (US) 2010-11-24 EP disclosed