SCHEMBL25910504

SCHEMBL25910504

CC(C)N1CC2CN(C(=O)[C@@H]3N[C@H]3C3CC3)CC2C1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.35
HRH4 Q9H3N8 1/20 0.35
CHRNB2 P17787 14/20 0.34
CHRNA3 P32297 14/20 0.34
CHRNA4 P43681 14/20 0.34
CHRNB4 P30926 5/20 0.34
CHRNA7 P36544 5/20 0.34
TLR9 Q9NR96 1/20 0.33
TLR8 Q9NR97 1/20 0.33
TLR7 Q9NYK1 1/20 0.33
CHRNB3 Q05901 9/20 0.32
CHRNA6 Q15825 9/20 0.32
HSD11B1 P28845 2/20 0.32
HSD11B2 P80365 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
SCHEMBL25910994 0.91 HRH3 (0.35) HRH3HRH4TLR9TLR8TLR7
SCHEMBL25909959 0.83 HRH3 (0.43) HRH3
SCHEMBL25910100 0.83 HRH3 (0.43) HRH3
SCHEMBL25911019 0.81 CHRNB2 (0.35) HRH3CHRNB2CHRNA3CHRNA4CHRNB4
SCHEMBL25910081 0.80
SCHEMBL25909867 0.80
SCHEMBL25910358 0.80
SCHEMBL25910098 0.80
SCHEMBL25909957 0.80
SCHEMBL25910352 0.78 CHRNB2 (0.33) CHRNB2CHRNA3CHRNA4CHRNB4CHRNA7

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-2023141300-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF KUMQUAT BIOSCIENCES INC. (US) 2023-07-27 WO disclosed