SCHEMBL756957

SCHEMBL756957

C[C@@H]1C[C@@H]1Oc1cccc(CN2CCC3(C[C@@H]2C)C(NC2CCC2)=NC(=O)N3c2cccc(F)c2)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
SCHEMBL757180 1.00 BACE1 (0.47) BACE1
SCHEMBL755508 1.00 BACE1 (0.47) BACE1
Hydrochloric Acid SCHEMBL758997 0.99 BACE1 (0.46) BACE1
Hydrochloric Acid SCHEMBL5616620 0.99 BACE1 (0.46) BACE1
Hydrochloric Acid SCHEMBL755095 0.99 BACE1 (0.46) BACE1
SCHEMBL758530 0.91 BACE1 (0.54) BACE1
SCHEMBL765592 0.91 BACE1 (0.54) BACE1
SCHEMBL758731 0.91 BACE1 (0.54) BACE1
SCHEMBL764652 0.90 BACE1 (0.46) BACE1
SCHEMBL765889 0.89 BACE1 (0.45) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1910364-B1 SPIROPIPERIDINE BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE MERCK SHARP & DOHME (US) 2012-03-21 EP claimed