SCHEMBL756742

SCHEMBL756742

C[C@@H]1C[C@@]2(CCN1Cc1ccccc1)C(N[C@@H](C)C(C)(C)C)=NC(=O)N2c1cccc(F)c1

nearest known ligand 0.47

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 20/20 0.47

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
SCHEMBL765898 1.00 BACE1 (0.47) BACE1
SCHEMBL759014 1.00 BACE1 (0.47) BACE1
SCHEMBL756977 1.00 BACE1 (0.47) BACE1
SCHEMBL756995 0.84 BACE1 (0.47) BACE1
Hydrochloric Acid SCHEMBL5616450 0.83 BACE1 (0.46) BACE1
Hydrochloric Acid SCHEMBL760111 0.83 BACE1 (0.46) BACE1
Hydrochloric Acid SCHEMBL761491 0.83 BACE1 (0.46) BACE1
SCHEMBL764637 0.83 BACE1 (0.47) BACE1
SCHEMBL754907 0.83 BACE1 (0.47) BACE1
SCHEMBL755104 0.82 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
US-8211904-B2 Spiropiperidine beta-secretase inhibitors for the treatment of alzheimer's disease Merck, Sharp & Dohme Corp. (US) 2012-07-03 US disclosed
EP-1910364-B1 SPIROPIPERIDINE BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE MERCK SHARP & DOHME (US) 2012-03-21 EP disclosed