SCHEMBL8536409

SCHEMBL8536409

COc1ccc2c(c1)C1(N=C(N)N(C)C1=O)c1cc(Br)cc(F)c1O2

nearest known ligand 0.74

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 20/20 0.74
BACE2 Q9Y5Z0 2/20 0.44
CTSD P07339 1/20 0.44

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
SCHEMBL2573862 0.87 BACE1 (0.70) BACE1BACE2CTSD
SCHEMBL8538563 0.85 BACE1 (1.00) BACE1CTSD
SCHEMBL8534411 0.85 BACE1 (1.00) BACE1CTSD
SCHEMBL16487863 0.84 BACE1 (0.54) BACE1CTSD
Formic Acid SCHEMBL2560041 0.78 BACE1 (0.58) BACE1BACE2CTSD
SCHEMBL2574295 0.78 BACE1 (0.61) BACE1BACE2CTSD
SCHEMBL7711676 0.76 BACE1 (0.78) BACE1BACE2CTSD
SCHEMBL2571375 0.76 BACE1 (0.51) BACE1CTSD
SCHEMBL7710636 0.75 BACE1 (0.69) BACE1CTSD
SCHEMBL16487873 0.74 BACE1 (1.00) BACE1BACE2CTSD

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8957083-B2 Spiro-amino-imidazolone and spiro-amino-dihydro-pyrimidinone compounds as beta-secretase modulators and methods of use AMGEN INC. (US) 2015-02-17 US disclosed
EP-2643325-A1 SPIRO-AMINO-IMIDAZOLONE AND SPIRO-AMINO-DIHYDRO-PYRIMIDINONE COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE Amgen Inc. (US) 2013-10-02 EP disclosed
WO-2012071279-A1 SPIRO-AMINO-IMIDAZOLONE AND SPIRO-AMINO-DIHYDRO-PYRIMIDINONE COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE AMGEN INC. (US) 2012-05-31 WO disclosed