SCHEMBL5166596

SCHEMBL5166596

COc1cccc(-c2cccc(C3(c4ccc5c(c4)CCO5)N=C([AsH2])N(C)C3=O)c2)c1F

nearest known ligand 0.58

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 20/20 0.58
CTSD P07339 8/20 0.53
BACE2 Q9Y5Z0 7/20 0.53
APP P05067 1/20 0.44

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
SCHEMBL4516455 0.91 BACE1 (0.72) BACE1CTSDBACE2
SCHEMBL4514009 0.87 BACE1 (0.71) BACE1CTSDBACE2
SCHEMBL5132684 0.81 BACE1 (0.57) BACE1CTSDBACE2
SCHEMBL5148525 0.80 BACE1 (0.52) BACE1CTSDBACE2
SCHEMBL4527878 0.79 BACE1 (0.78) BACE1CTSDBACE2
SCHEMBL4525505 0.78 BACE1 (0.72) BACE1CTSDBACE2
SCHEMBL7874779 0.78 BACE1 (0.58) BACE1CTSDBACE2APP
SCHEMBL4511016 0.77 BACE1 (0.65) BACE1CTSDBACE2
SCHEMBL5132234 0.77 BACE1 (0.56) BACE1CTSDBACE2
Hydrochloric Acid SCHEMBL4857222 0.76 BACE1 (0.59) BACE1CTSDBACE2

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-2008076043-A1 NOVEL 2-AMINO-5,5-DIARYL-IMIDAZOL-4-ONES ASTRAZENECA AB (SE) 2008-06-26 WO claimed