SCHEMBL7698935

SCHEMBL7698935

CCOc1cncc(C2(C#N)CC3CCC(C2)N3)c1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 5/20 0.37
CHRNA4 P43681 5/20 0.37
CYP11B1 P15538 2/20 0.36
CYP11B2 P19099 2/20 0.36
CHRNB4 P30926 2/20 0.36
CHRNA3 P32297 2/20 0.36
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 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
SCHEMBL7971900 0.86 CHRNB2 (0.38) CHRNB2CHRNA4CYP11B1CYP11B2CHRNB4
SCHEMBL7221029 0.82 CHRNB2 (0.36) CHRNB2CHRNA4CYP11B1CYP11B2CHRNB4
SCHEMBL7699063 0.78 CHRNB2 (0.34) CHRNB2CHRNA4CYP11B1CYP11B2CHRNB4
SCHEMBL7700183 0.78 CHRNB2 (0.33) CHRNB2CHRNA4CYP11B1CYP11B2CHRNB4
SCHEMBL7697700 0.77 GRM5 (0.41) CHRNB2CHRNA4PDE4APDE4BPDE4C
SCHEMBL17507209 0.77 CHRNB2 (0.36) CHRNB2CHRNA4CYP11B1CYP11B2CHRNB4
SCHEMBL16115777 0.77
SCHEMBL16115008 0.77 CHRNB2 (0.36) CHRNB2CHRNA4CYP11B1CYP11B2CHRNB4
SCHEMBL16135495 0.77
SCHEMBL7698407 0.77 CHRNB2 (0.36) CHRNB2CHRNA4CYP11B1CYP11B2CHRNB4

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-2002057263-A1 8-AZABICYCLO \"3.2.1.! OCTANES AS INSECTICIDES SYNGENTA LIMITED (GB) 2002-07-25 WO disclosed