SCHEMBL755919

SCHEMBL755919

C[C@H]1CC2(CCN1Cc1cccc(CC3CC3)c1)C(NC1CCCCC1)=NC(=O)N2c1cccc(F)c1

nearest known ligand 0.41

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 20/20 0.41
BACE2 Q9Y5Z0 1/20 0.36

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
SCHEMBL757907 1.00 BACE1 (0.41) BACE1BACE2
SCHEMBL764637 0.92 BACE1 (0.47) BACE1BACE2
SCHEMBL764599 0.90 BACE1 (0.41) BACE1BACE2
SCHEMBL4739104 0.90 BACE1 (0.41) BACE1BACE2
SCHEMBL4786916 0.89 HSD11B1 (0.41) BACE1BACE2
SCHEMBL10262738 0.89 HSD11B1 (0.41) BACE1BACE2
SCHEMBL4786910 0.89 HSD11B1 (0.41) BACE1BACE2
SCHEMBL757501 0.89 HSD11B1 (0.41) BACE1BACE2
SCHEMBL758530 0.88 BACE1 (0.54) BACE1
SCHEMBL758731 0.88 BACE1 (0.54) 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 disclosed