SCHEMBL4248876

SCHEMBL4248876

CC(C)Oc1cccc(CN2CCC3(CC2C)C(=O)N(CC2CCCCC2)C(=O)N3c2cccc(F)c2)c1

nearest known ligand 0.54

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 20/20 0.54
BACE2 Q9Y5Z0 1/20 0.37

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
SCHEMBL3479496 1.00 BACE1 (0.54) BACE1BACE2
SCHEMBL4248880 1.00 BACE1 (0.54) BACE1BACE2
SCHEMBL3479586 0.88 BACE1 (0.57) BACE1
SCHEMBL3479379 0.88 BACE1 (0.59) BACE1
SCHEMBL3479484 0.87 BACE1 (0.56) BACE1
SCHEMBL3479312 0.86 BACE1 (0.60) BACE1
SCHEMBL3479552 0.86 BACE1 (0.57) BACE1
SCHEMBL3479508 0.85 BACE1 (0.54) BACE1
SCHEMBL2627859 0.85 BACE1 (0.58) BACE1
SCHEMBL3479563 0.85 BACE1 (0.55) 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