SCHEMBL12445513

SCHEMBL12445513

CC1=CCC(C(=O)Nc2cccc(C3(C)CC(=O)N(C)C(N)=N3)c2)S1

nearest known ligand 0.58

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 20/20 0.58
CTSD P07339 1/20 0.40

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
SCHEMBL12445527 0.84 BACE1 (0.58) BACE1CTSD
SCHEMBL12446166 0.78 BACE1 (0.57) BACE1CTSD
SCHEMBL287115 0.78 BACE1 (0.84) BACE1
SCHEMBL7941420 0.78 BACE1 (0.84) BACE1
SCHEMBL286822 0.78 BACE1 (0.69) BACE1
SCHEMBL286821 0.78 BACE1 (0.69) BACE1
SCHEMBL286820 0.78 BACE1 (0.69) BACE1
SCHEMBL287267 0.77 BACE1 (0.71) BACE1
SCHEMBL287268 0.77 BACE1 (0.71) BACE1
SCHEMBL287269 0.77 BACE1 (0.71) 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