SCHEMBL12445486

SCHEMBL12445486

CN(C)CC#CCOc1cnc(C(=O)Nc2cccc(C3(C)CC(=O)NC(N)=N3)c2)cn1

nearest known ligand 0.62

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 20/20 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
SCHEMBL12446186 0.92 BACE1 (0.64) BACE1
SCHEMBL12446188 0.91 BACE1 (0.65) BACE1
SCHEMBL12302136 0.86 BACE1 (0.83) BACE1
SCHEMBL12445803 0.85 BACE1 (0.64) BACE1
SCHEMBL12445800 0.81 BACE1 (0.65) BACE1
SCHEMBL12445612 0.79 BACE1 (0.65) BACE1
SCHEMBL7942230 0.79 BACE1 (0.85) BACE1
SCHEMBL287106 0.78 BACE1 (0.70) BACE1
SCHEMBL12445621 0.78 BACE1 (0.65) BACE1
SCHEMBL7941209 0.78 BACE1 (0.87) 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-2360155-A1 2-AMINOPYRIDIN-4-ONE AND 2-AMINOPYRIDINE DERIVATIVE BOTH HAVING BACE1-INHIBITING ACTIVITY Shionogi & Co., Ltd. (JP) 2011-08-24 EP disclosed