SCHEMBL24671074

SCHEMBL24671074

CC(C)C1CN(C(=O)C2CN(C)C2)C1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 12/20 0.38
CHRNA3 P32297 12/20 0.38
CHRNA4 P43681 12/20 0.38
CHRNB3 Q05901 7/20 0.38
CHRNA6 Q15825 7/20 0.38
CHRNB4 P30926 5/20 0.35
CHRNA7 P36544 5/20 0.35
HRH3 Q9Y5N1 1/20 0.35
HSD11B1 P28845 4/20 0.34
HTT P42858 1/20 0.34
LMNA P02545 1/20 0.33

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
SCHEMBL25480236 0.86 CHRNB2 (0.39) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL10119970 0.83 CHRNB2 (0.50) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL26790076 0.83 HTT (0.46) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL19735106 0.82 PIK3CD (0.37) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL25480245 0.82 HRH3 (0.44) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL25075304 0.81 HTT (0.38) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL19111278 0.80 CHRNB2 (0.53) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL25513855 0.79 HRH3 (0.36) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL25488936 0.79 CHRNB2 (0.35) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL24312699 0.78 CHRNB2 (0.48) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6

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-2022235715-A1 COMPOUNDS FOR INHIBITING OR DEGRADING ITK, COMPOSITIONS, COMPRISING THE SAME METHODS OF THEIR MAKING AND METHODS OF THEIR USE NURIX THERAPEUTICS, INC. (US) 2022-11-10 WO disclosed