SCHEMBL4249252

SCHEMBL4249252

CC(C)Oc1cccc(CN2CC[C@]3(C[C@@H]2C)C(=O)N(c2cccc(C(=O)O)c2)C(=O)N3c2cccc(F)c2)c1

nearest known ligand 0.54

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 19/20 0.54
PKM P14618 1/20 0.40

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
SCHEMBL3479565 1.00 BACE1 (0.54) BACE1PKM
SCHEMBL4249249 1.00 BACE1 (0.54) BACE1PKM
SCHEMBL3479312 0.94 BACE1 (0.60) BACE1
SCHEMBL2627859 0.93 BACE1 (0.58) BACE1
SCHEMBL8196366 0.90 BACE1 (0.56) BACE1
Trifluoroacetic Acid SCHEMBL3479614 0.90 BACE1 (0.54) BACE1
SCHEMBL3479507 0.88 BACE1 (0.54) BACE1
SCHEMBL3479550 0.88 BACE1 (0.54) BACE1
SCHEMBL3479484 0.86 BACE1 (0.56) BACE1
SCHEMBL3479546 0.85 BACE1 (0.53) 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