SCHEMBL8225490

SCHEMBL8225490

COc1ccc(C2(c3cccc(Br)c3)NC(=S)N3CC(C)(F)CN=C32)cc1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 13/20 0.55
CTSD P07339 4/20 0.37
RXFP1 Q9HBX9 1/20 0.36
BACE2 Q9Y5Z0 4/20 0.34
RORC P51449 1/20 0.32
NPY5R Q15761 2/20 0.31
CHRNA1 P02708 1/20 0.31
CHRNG P07510 1/20 0.31
CHRNB1 P11230 1/20 0.31
CHRNB2 P17787 1/20 0.31
SLC6A2 P23975 1/20 0.31
CHRNB4 P30926 1/20 0.31
SLC6A4 P31645 1/20 0.31
CHRNA3 P32297 1/20 0.31
CHRNA4 P43681 1/20 0.31
SLC6A3 Q01959 1/20 0.31
CHRND Q07001 1/20 0.31
CNR1 P21554 1/20 0.30

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
SCHEMBL4881837 0.91 BACE1 (0.66) BACE1CTSDRXFP1BACE2
SCHEMBL4888786 0.83 BACE1 (0.47) BACE1CTSDRXFP1BACE2RORC
SCHEMBL4886726 0.83 BACE1 (0.46) BACE1CTSDRXFP1BACE2RORC
SCHEMBL4883711 0.82 BACE1 (0.48) BACE1CTSDRXFP1BACE2RORC
SCHEMBL4884539 0.81 BACE1 (0.44) BACE1CTSDRXFP1BACE2RORC
SCHEMBL4890877 0.81 BACE1 (0.44) BACE1CTSDRXFP1BACE2RORC
SCHEMBL4887710 0.79 BACE1 (0.42) BACE1CTSDRXFP1BACE2RORC
SCHEMBL4017195 0.78 BACE1 (0.41) BACE1CTSDRXFP1BACE2RORC
SCHEMBL13933077 0.78 BACE1 (0.41) BACE1CTSDBACE2
SCHEMBL4010184 0.78 BACE1 (0.41) BACE1CTSDRXFP1RORC

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-2007145569-A1 AMINO-IMIDAZOLONES AND THEIR USE AS A MEDICAMENT FOR TREATING COGNITIVE IMPAIRMENT, ALZHEIMER DISEASE, NEURODEGENERATION AND DEMENTIA ASTRAZENECA AB (SE) 2007-12-21 WO disclosed