SCHEMBL7699063

SCHEMBL7699063

CCOc1cncc(C2(C#N)CC3CCC(C2)N3C=O)c1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 4/20 0.34
CHRNA4 P43681 4/20 0.34
CHRNB4 P30926 3/20 0.33
CHRNA3 P32297 3/20 0.33
CYP11B1 P15538 2/20 0.33
CYP11B2 P19099 2/20 0.33
PDE4A P27815 2/20 0.33
PDE4B Q07343 2/20 0.33
PDE4C Q08493 2/20 0.33
PDE4D Q08499 2/20 0.33
RIPK2 O43353 2/20 0.33
OPRL1 P41146 1/20 0.31
CHRNA7 P36544 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
SCHEMBL7971885 0.88 KMT2A (0.34) CHRNB2CHRNA4CHRNB4CHRNA3CYP11B1
SCHEMBL7221029 0.86 CHRNB2 (0.36) CHRNB2CHRNA4CHRNB4CHRNA3CYP11B1
SCHEMBL7697700 0.83 GRM5 (0.41) CHRNB2CHRNA4PDE4APDE4BPDE4C
SCHEMBL7700183 0.82 CHRNB2 (0.33) CHRNB2CHRNA4CHRNB4CHRNA3CYP11B1
SCHEMBL7972022 0.79 RIPK2 (0.32) RIPK2OPRL1
SCHEMBL7223598 0.79 OPRL1 (0.36) CHRNB4CHRNA3CYP11B1CYP11B2RIPK2
SCHEMBL7696516 0.79 OPRK1 (0.43) CHRNB2CHRNB4CHRNA3OPRL1
SCHEMBL7698935 0.78 CHRNB2 (0.37) CHRNB2CHRNA4CHRNB4CHRNA3CYP11B1
SCHEMBL7227978 0.74 CHRNB2 (0.34) CHRNB2CHRNA4CHRNB4CHRNA3CYP11B1
SCHEMBL7230387 0.73 KMT2A (0.40) CHRNB2CHRNA4CHRNB4CHRNA3CYP11B1

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