SCHEMBL7942230

SCHEMBL7942230

CN1C(=O)CC(C)(c2cccc(NC(=O)c3cnc(OCC#CCF)cn3)c2)N=C1N

nearest known ligand 0.85

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 20/20 0.85

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
SCHEMBL7934646 0.93 BACE1 (0.87) BACE1
SCHEMBL7941209 0.93 BACE1 (0.87) BACE1
SCHEMBL7933404 0.93 BACE1 (0.87) BACE1
SCHEMBL12302136 0.92 BACE1 (0.83) BACE1
SCHEMBL7945608 0.92 BACE1 (1.00) BACE1
SCHEMBL7944195 0.90 BACE1 (1.00) BACE1
SCHEMBL7944802 0.89 BACE1 (0.86) BACE1
SCHEMBL7941205 0.88 BACE1 (0.84) BACE1
SCHEMBL7946581 0.88 BACE1 (0.67) BACE1
SCHEMBL7944236 0.87 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
WO-2010047372-A1 2-AMINOPYRIDIN-4-ONE AND 2-AMINOPYRIDINE DERIVATIVE BOTH HAVING BACE1-INHIBITING ACTIVITY 塩野義製薬株式会社 (JP) 2010-04-29 WO disclosed