SCHEMBL17460950

SCHEMBL17460950

CC(C)(C)OC(=O)NC1=N[C@@]2(CO1)c1cc(Br)ccc1OC(C)(C)C21CC1

nearest known ligand 0.52

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 20/20 0.52
KCNH2 Q12809 4/20 0.45

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
SCHEMBL15589155 0.90 BACE1 (0.48) BACE1KCNH2
SCHEMBL15589150 0.84 BACE1 (0.52) BACE1KCNH2
SCHEMBL15588930 0.84 BACE1 (0.52) BACE1KCNH2
SCHEMBL15589214 0.83 BACE1 (0.52) BACE1KCNH2
SCHEMBL15587980 0.83 BACE1 (0.57) BACE1KCNH2
SCHEMBL15589151 0.83 BACE1 (0.73) BACE1KCNH2
SCHEMBL15589156 0.82 BACE1 (0.71) BACE1KCNH2
SCHEMBL17460953 0.81 BACE1 (0.55) BACE1KCNH2
SCHEMBL15587760 0.81 BACE1 (0.73) BACE1KCNH2
SCHEMBL15589153 0.81 BACE1 (0.71) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9242973-B2 Chromane compounds COMENTIS, INC. (US) 2016-01-26 US disclosed