SCHEMBL8220079

SCHEMBL8220079

Cc1cccc(C2(c3ccccc3)NC(=S)N3CCCN=C32)c1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 11/20 0.44
BACE2 Q9Y5Z0 7/20 0.44
APP P05067 1/20 0.44
CTSD P07339 4/20 0.41
POLB P06746 1/20 0.40
HDAC8 Q9BY41 3/20 0.36
HDAC5 Q9UQL6 2/20 0.36
HDAC4 P56524 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
OPRM1 P35372 2/20 0.35
OPRL1 P41146 2/20 0.35
HDAC7 Q8WUI4 1/20 0.34
OPRD1 P41143 1/20 0.34
OPRK1 P41145 1/20 0.34

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
SCHEMBL8220071 0.92 BACE1 (0.45) BACE1BACE2APPCTSDPOLB
SCHEMBL4883509 0.86 BACE1 (0.45) BACE1BACE2APPCTSDPOLB
SCHEMBL8224090 0.84 BACE1 (0.44) BACE1BACE2APPCTSDHDAC8
SCHEMBL13016530 0.79 BACE1 (0.39) BACE1BACE2APPCTSDPOLB
SCHEMBL4887798 0.78 BACE1 (0.44) BACE1BACE2APPCTSDPOLB
SCHEMBL13766659 0.78 BACE1 (0.37) BACE1BACE2APPCTSDPOLB
SCHEMBL4883711 0.78 BACE1 (0.48) BACE1BACE2APPCTSD
SCHEMBL14277041 0.77 BACE1 (0.49) BACE1BACE2APPCTSDPOLB
SCHEMBL8217676 0.77 BACE1 (0.37) BACE1CTSDHDAC8HDAC5HDAC4
SCHEMBL4882001 0.76 BACE1 (0.43) BACE1BACE2APPCTSDPOLB

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