SCHEMBL17815918

SCHEMBL17815918

CCC1CN(C(=O)C2CC(O)C2)C1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 14/20 0.37
CHRNA3 P32297 14/20 0.37
CHRNA4 P43681 14/20 0.37
CHRNB3 Q05901 9/20 0.37
CHRNA6 Q15825 9/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
CHRNB4 P30926 5/20 0.34
CHRNA7 P36544 5/20 0.34
HSD11B1 P28845 5/20 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
SCHEMBL17816044 0.82 CHRNB2 (0.50) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL25513779 0.78 HRH3 (0.42) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL19738916 0.78 CHRNB2 (0.41) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL19735098 0.73 HSD11B1 (0.39) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL19735106 0.73 PIK3CD (0.37) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL26498812 0.73 HRH3 (0.45)
SCHEMBL21706210 0.72 PLG (0.33)
SCHEMBL4550375 0.71 HSD11B1 (0.44) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL8383202 0.70
SCHEMBL18218802 0.70

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-2016090285-A1 4,6-SUBSTITUTED-PYRAZOLO[1,5-a]PYRAZINES AS JANUS KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2016-06-09 WO disclosed