SCHEMBL4253306

SCHEMBL4253306

Cc1ccccc1-c1cccc(CN2CCC3(CC2C)C(=O)NC(=O)N3c2cccc(F)c2)c1

nearest known ligand 0.61

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 19/20 0.61
HSD11B1 P28845 1/20 0.41

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
SCHEMBL3479622 1.00 BACE1 (0.61) BACE1HSD11B1
SCHEMBL3479443 0.88 BACE1 (0.58) BACE1
SCHEMBL3479511 0.88 BACE1 (0.58) BACE1
SCHEMBL3479445 0.88 BACE1 (0.58) BACE1
SCHEMBL3479520 0.86 BACE1 (0.73) BACE1HSD11B1
SCHEMBL3479519 0.86 BACE1 (0.73) BACE1HSD11B1
SCHEMBL13031126 0.84 BACE1 (0.49) BACE1
SCHEMBL757005 0.84 BACE1 (0.51) BACE1HSD11B1
Hydrochloric Acid SCHEMBL754776 0.84 BACE1 (0.51) BACE1HSD11B1
SCHEMBL12293372 0.83 BACE1 (0.57) 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 disclosed
WO-2008030412-A2 SPIROPIPERIDINE BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE MERCK & CO., INC. (US) 2008-03-13 WO disclosed