SCHEMBL21098144

SCHEMBL21098144

CCCN(CCC)C(O)C1=Cc2ccc(Br)cc2N=C(NC(=O)OC(C)(C)C)C1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 11/20 0.48
AAK1 Q2M2I8 6/20 0.33
TLR7 Q9NYK1 3/20 0.33
NR1I3 Q14994 1/20 0.33
BCL2 P10415 1/20 0.32
BECN1 Q14457 1/20 0.32
BACE1 P56817 1/20 0.32

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
SCHEMBL21592104 0.83 TLR8 (0.51) TLR8TLR7NR1I3
SCHEMBL17843455 0.83 TLR8 (0.68) TLR8TLR7
SCHEMBL30006352 0.78 TLR8 (0.48) TLR8AAK1BCL2BECN1BACE1
SCHEMBL1235939 0.78 TLR8 (0.48) TLR8AAK1BCL2BECN1BACE1
SCHEMBL2333056 0.77 TLR8 (0.51) TLR8AAK1TLR7BCL2BECN1
SCHEMBL16592799 0.76 TLR8 (0.42) TLR8AAK1BCL2BECN1BACE1
SCHEMBL16592818 0.76 TLR8 (0.41) TLR8AAK1BCL2BECN1BACE1
SCHEMBL25688112 0.72 TLR8 (0.69) TLR8TLR7
SCHEMBL28467264 0.72 BACE1 (0.37) TLR8AAK1BCL2BECN1BACE1
SCHEMBL18659723 0.72 TLR8 (0.68) TLR8TLR7

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-2019118884-A1 ANTIBODY CONSTRUCT-DRUG CONJUGATE FOR THE TREATMENT OF HEPATITIS SILVERBACK THERAPEUTICS, INC. (US) 2019-06-20 WO disclosed