SCHEMBL25911019

SCHEMBL25911019

CC(C)N1CC2CN(C(=O)[C@@H]3N[C@H]3C3CC3)CC21

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 13/20 0.35
CHRNA3 P32297 13/20 0.35
CHRNA4 P43681 13/20 0.35
CHRNB4 P30926 5/20 0.35
CHRNA7 P36544 5/20 0.35
CHRNB3 Q05901 8/20 0.33
CHRNA6 Q15825 8/20 0.33
HSD11B1 P28845 2/20 0.33
HSD11B2 P80365 1/20 0.31
HRH3 Q9Y5N1 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
SCHEMBL25911012 0.81 CHRNB2 (0.38) CHRNB2CHRNA3CHRNA4CHRNB4CHRNA7
SCHEMBL25910504 0.81 HRH3 (0.35) CHRNB2CHRNA3CHRNA4CHRNB4CHRNA7
SCHEMBL25909964 0.80
SCHEMBL25910997 0.80
SCHEMBL25910352 0.74 CHRNB2 (0.33) CHRNB2CHRNA3CHRNA4CHRNB4CHRNA7
SCHEMBL25910994 0.73 HRH3 (0.35) HRH3
SCHEMBL29299288 0.73 HRH3 (0.32) HSD11B1HRH3
SCHEMBL25910763 0.73 DPP4 (0.30)
SCHEMBL29299289 0.73
SCHEMBL25909959 0.73 HRH3 (0.43) HRH3

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