SCHEMBL755104

SCHEMBL755104

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

nearest known ligand 0.55

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 20/20 0.55

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
SCHEMBL755103 1.00 BACE1 (0.55) BACE1
SCHEMBL757309 1.00 BACE1 (0.55) BACE1
SCHEMBL14601850 1.00 BACE1 (0.55) BACE1
SCHEMBL755102 1.00 BACE1 (0.55) BACE1
SCHEMBL765259 0.94 BACE1 (0.56) BACE1
SCHEMBL754774 0.92 BACE1 (0.54) BACE1
SCHEMBL754775 0.92 BACE1 (0.54) BACE1
SCHEMBL755069 0.88 BACE1 (0.54) BACE1
SCHEMBL757477 0.88 BACE1 (0.53) BACE1
SCHEMBL765610 0.88 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 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