SCHEMBL25075396

SCHEMBL25075396

CC(=O)N1CC(C2CN(C(C)C)C2)C1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 4/20 0.52
CHRNA3 P32297 4/20 0.52
CHRNA4 P43681 4/20 0.52
CHRNB4 P30926 2/20 0.52
CHRNB3 Q05901 2/20 0.43
CHRNA6 Q15825 2/20 0.43
PIK3CD O00329 1/20 0.39
CHRNA7 P36544 1/20 0.39
HRH4 Q9H3N8 1/20 0.39
HRH3 Q9Y5N1 4/20 0.33
TLR9 Q9NR96 3/20 0.33
TLR8 Q9NR97 3/20 0.33
TLR7 Q9NYK1 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
CYP2D6 P10635 1/20 0.33
KCNH2 Q12809 1/20 0.33
CYP1A2 P05177 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CCR5 P51681 1/20 0.33
KDM4E B2RXH2 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
SCHEMBL27380463 1.00 CHRNB2 (0.52) CHRNB2CHRNA3CHRNA4CHRNB4CHRNB3
SCHEMBL24309126 1.00 CHRNB2 (0.52) CHRNB2CHRNA3CHRNA4CHRNB4CHRNB3
SCHEMBL16132848 1.00 CHRNB2 (0.52) CHRNB2CHRNA3CHRNA4CHRNB4CHRNB3
SCHEMBL21287989 0.87 CHRNB2 (0.40) CHRNB2CHRNA3CHRNA4CHRNB4CHRNB3
SCHEMBL24870374 0.84 PIK3CD (0.43) CHRNB2CHRNA3CHRNA4CHRNB4PIK3CD
SCHEMBL24870383 0.84 CHRNB2 (0.38) CHRNB2CHRNA3CHRNA4CHRNB4PIK3CD
SCHEMBL26295565 0.81 CHRNB2 (0.52) CHRNB2CHRNA3CHRNA4CHRNB4CHRNB3
SCHEMBL14453854 0.81 CHRNB2 (0.52) CHRNB2CHRNA3CHRNA4CHRNB4CHRNB3
SCHEMBL23325422 0.79 HSD17B10 (0.41) HRH4TLR9TLR8TLR7SMN1; SMN2
SCHEMBL15218142 0.79 CHRNB2 (0.40) CHRNB2CHRNA3CHRNA4CHRNB4CHRNB3

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-2023023537-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF BRUTON'S TYROSINE KINASE ENDOTARGET INC. (US) 2023-02-23 WO disclosed