SCHEMBL20120011

SCHEMBL20120011

CC(C)OC(=O)N1CC2CC1CN2

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 9/20 0.53
CHRNA4 P43681 9/20 0.53
CHRNA3 P32297 6/20 0.53
CHRNB3 Q05901 2/20 0.53
CHRNA6 Q15825 2/20 0.53
TLR9 Q9NR96 2/20 0.36
TLR8 Q9NR97 2/20 0.36
TLR7 Q9NYK1 2/20 0.36
KDM1A O60341 2/20 0.34
CHRNB4 P30926 4/20 0.31
CHRNA7 P36544 3/20 0.31
HSD11B1 P28845 1/20 0.31
NR1H2 P55055 1/20 0.31
NR1H3 Q13133 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
SCHEMBL15258056 1.00 CHRNB2 (0.53) CHRNB2CHRNA4CHRNA3CHRNB3CHRNA6
SCHEMBL18768737 1.00 CHRNB2 (0.53) CHRNB2CHRNA4CHRNA3CHRNB3CHRNA6
Hydrochloric Acid SCHEMBL15254877 0.98 CHRNB2 (0.51) CHRNB2CHRNA4CHRNA3CHRNB3CHRNA6
Hydrochloric Acid SCHEMBL15254876 0.98 CHRNB2 (0.51) CHRNB2CHRNA4CHRNA3CHRNB3CHRNA6
SCHEMBL18700542 0.81 CHRNB2 (0.57) CHRNB2CHRNA4CHRNA3CHRNB3CHRNA6
SCHEMBL15249475 0.81 CHRNB2 (0.57) CHRNB2CHRNA4CHRNA3CHRNB3CHRNA6
SCHEMBL19687189 0.80 CHRNB2 (0.49) CHRNB2CHRNA4CHRNA3CHRNB3CHRNA6
SCHEMBL30546694 0.79 CHRNB2 (0.54) CHRNB2CHRNA4CHRNA3CHRNB3CHRNA6
SCHEMBL12414501 0.78 CHRNB2 (0.57) CHRNB2CHRNA4CHRNA3CHRNB3CHRNA6
SCHEMBL19869622 0.78 CHRNB2 (0.57) CHRNB2CHRNA4CHRNA3CHRNB3CHRNA6

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
EP-2822559-B1 IMIDAZO[1,2-B]PYRIDAZINE-BASED COMPOUNDS, COMPOSITIONS COMPRISING THEM, AND USES THEREOF LEXICON PHARMACEUTICALS INC (US) 2018-05-02 EP disclosed