SCHEMBL4738533

SCHEMBL4738533

CC(C)Oc1cccc(CN2CC[C@@]3(CC2C)C(NC2CCC(F)(F)CC2)=NC(=O)N3c2cccc(F)c2)c1

nearest known ligand 0.53

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 20/20 0.53

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
SCHEMBL4738536 1.00 BACE1 (0.53) BACE1
SCHEMBL4737798 1.00 BACE1 (0.53) BACE1
SCHEMBL758008 1.00 BACE1 (0.53) BACE1
Hydrochloric Acid SCHEMBL758835 0.99 BACE1 (0.52) BACE1
SCHEMBL755069 0.95 BACE1 (0.54) BACE1
SCHEMBL757477 0.94 BACE1 (0.53) BACE1
SCHEMBL765610 0.94 BACE1 (0.53) BACE1
Hydrochloric Acid SCHEMBL761709 0.94 BACE1 (0.53) BACE1
SCHEMBL755639 0.94 BACE1 (0.53) BACE1
Hydrochloric Acid SCHEMBL755758 0.94 BACE1 (0.52) 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-1910364-A2 SPIROPIPERIDINE BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE Merck & Co., Inc. (US) 2008-04-16 EP claimed
WO-2007011833-A2 SPIROPIPERIDINE BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE MERCK & CO., INC. (US) 2007-01-25 WO claimed