SCHEMBL7700183

SCHEMBL7700183

CCOc1cncc(C2(C#N)CC3CCC(C2)N3CCC#N)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 5/20 0.33
CHRNA4 P43681 4/20 0.33
JAK2 O60674 4/20 0.33
ABL1 P00519 2/20 0.33
KDR P35968 2/20 0.33
STAT3 P40763 2/20 0.33
GSK3B P49841 2/20 0.33
AURKB Q96GD4 2/20 0.33
CHRNA3 P32297 3/20 0.33
CHRNB4 P30926 2/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
OPRL1 P41146 1/20 0.32
JAK1 P23458 2/20 0.32
TYK2 P29597 2/20 0.32
JAK3 P52333 2/20 0.32
PDE4A P27815 1/20 0.31
PDE4B Q07343 1/20 0.31
PDE4C Q08493 1/20 0.31
PDE4D Q08499 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
SCHEMBL7221029 0.88 CHRNB2 (0.36) CHRNB2CHRNA4CHRNA3CHRNB4CYP11B1
SCHEMBL7696516 0.82 OPRK1 (0.43) CHRNB2JAK2CHRNA3CHRNB4OPRL1
SCHEMBL7699063 0.82 CHRNB2 (0.34) CHRNB2CHRNA4CHRNA3CHRNB4CYP11B1
SCHEMBL7221392 0.81 OPRL1 (0.37) JAK2ABL1KDRSTAT3GSK3B
SCHEMBL7697700 0.80 GRM5 (0.41) CHRNB2CHRNA4JAK2JAK1TYK2
SCHEMBL7698935 0.78 CHRNB2 (0.37) CHRNB2CHRNA4CHRNA3CHRNB4CYP11B1
SCHEMBL7227978 0.75 CHRNB2 (0.34) CHRNB2CHRNA4CHRNA3CHRNB4CYP11B1
SCHEMBL7230387 0.75 KMT2A (0.40) CHRNB2CHRNA4CHRNA3CHRNB4CYP11B1
SCHEMBL7223489 0.71 OPRM1 (0.35) OPRL1
SCHEMBL7230622 0.71 ALDH1A1 (0.35)

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