SCHEMBL4566564

SCHEMBL4566564

CC(C)Oc1cccc(CN2CCC3(CC2C)C(=O)N(Cc2ncn(C)n2)C(=O)N3c2cccc(F)c2)c1

nearest known ligand 0.54

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 20/20 0.54

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
SCHEMBL3479533 1.00 BACE1 (0.54) BACE1
SCHEMBL3479379 0.89 BACE1 (0.59) BACE1
SCHEMBL3479586 0.88 BACE1 (0.57) BACE1
SCHEMBL3479389 0.88 BACE1 (0.53) BACE1
SCHEMBL3479523 0.87 BACE1 (0.53) BACE1
SCHEMBL3479438 0.87 BACE1 (0.53) BACE1
SCHEMBL3479603 0.87 BACE1 (0.53) BACE1
SCHEMBL3479518 0.87 BACE1 (0.54) BACE1
SCHEMBL3479492 0.87 BACE1 (0.57) BACE1
SCHEMBL3479508 0.86 BACE1 (0.54) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2063889-A2 SPIROPIPERIDINE BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE Merck & Co., Inc. (US) 2009-06-03 EP claimed
WO-2008030412-A2 SPIROPIPERIDINE BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE MERCK & CO., INC. (US) 2008-03-13 WO claimed