SCHEMBL21946264

SCHEMBL21946264

CC(C)C1CCN(C[C@@H]2CCN(C(C)C)C2)CC1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TLR9 Q9NR96 2/20 0.38
TLR8 Q9NR97 2/20 0.38
TLR7 Q9NYK1 2/20 0.38
CCR2 P41597 1/20 0.36
KCNH2 Q12809 1/20 0.36
ACHE P22303 1/20 0.34
HRH3 Q9Y5N1 4/20 0.32
CHRM5 P08912 1/20 0.31
ADRA2C P18825 1/20 0.31

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
SCHEMBL25700592 1.00 TLR9 (0.38) TLR9TLR8TLR7CCR2KCNH2
SCHEMBL26494307 0.92 TLR9 (0.35) TLR9TLR8TLR7CCR2KCNH2
SCHEMBL26494088 0.92 TLR9 (0.35) TLR9TLR8TLR7CCR2KCNH2
SCHEMBL25075140 0.92 TLR9 (0.35) TLR9TLR8TLR7CCR2KCNH2
SCHEMBL26494308 0.92 TLR9 (0.35) TLR9TLR8TLR7CCR2KCNH2
SCHEMBL25075122 0.92 TLR9 (0.35) TLR9TLR8TLR7CCR2KCNH2
SCHEMBL24832951 0.90 KCNH2 (0.44) TLR9TLR8TLR7CCR2KCNH2
SCHEMBL25075153 0.90 ACHE (0.38) TLR9TLR8TLR7CCR2KCNH2
SCHEMBL24233175 0.89 ACHE (0.40) TLR9TLR8TLR7ACHEHRH3
SCHEMBL26445224 0.89 ACHE (0.36) TLR9TLR8TLR7CCR2KCNH2

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-2020081450-A1 BIFUNCTIONAL COMPOUNDS FOR DEGRADING BTK VIA UBIQUITIN PROTEOSOME PATHWAY NURIX THERAPEUTICS, INC. (US) 2020-04-23 WO disclosed