SCHEMBL6891103

SCHEMBL6891103

CC1=NC(c2cccc(Br)c2)(C2CCN(C(=O)OC(C)(C)C)CC2)N=C1N

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 7/20 0.56
KCNH2 Q12809 4/20 0.43
GPR119 Q8TDV5 5/20 0.42
BACE2 Q9Y5Z0 2/20 0.42
CTSD P07339 1/20 0.42
CTSE P14091 1/20 0.42
NOTCH1 P46531 4/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
KDM1A O60341 1/20 0.39

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
SCHEMBL932073 0.86 BACE1 (0.59) BACE1KCNH2BACE2CTSD
SCHEMBL932230 0.80 BACE1 (0.59) BACE1KCNH2BACE2
SCHEMBL931281 0.78 BACE1 (0.60) BACE1KCNH2BACE2CTSD
SCHEMBL932626 0.77 BACE1 (0.65) BACE1KCNH2BACE2CTSD
SCHEMBL19331170 0.73 JAK2 (0.46) BACE1GPR119NOTCH1MEN1KMT2A
SCHEMBL932637 0.72 BACE1 (0.86) BACE1KCNH2BACE2
SCHEMBL19690249 0.72 TSHR (0.46) BACE1GPR119MEN1KMT2A
SCHEMBL19331220 0.71 TSHR (0.48) BACE1GPR119NOTCH1MEN1KMT2A
SCHEMBL22156939 0.71 GPR119 (0.49) GPR119
SCHEMBL1427529 0.70 NAMPT (0.53) GPR119NOTCH1

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
WO-2011002408-A1 NOVEL COMPOUNDS FOR TREATMENT OF NEURODEGENERATION ASSOCIATED WITH DISEASES, SUCH AS ALZHEIMER'S DISEASE OR DEMENTIA ASTRAZENECA AB (SE) 2011-01-06 WO disclosed