SCHEMBL7168019

SCHEMBL7168019

O=[N+]([O-])/C=C1\NCCC[C@H]1Oc1cnc(Cl)nc1

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CHRNA1 P02708 1/20 0.35
CHRNA3 P32297 1/20 0.35
CHRNA7 P36544 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL7162362 0.82 CHRNB2 (0.34) CHRNA1CHRNA3CHRNA7
SCHEMBL7087350 0.78 CHRNA1 (0.30) CHRNA1CHRNA3CHRNA7
SCHEMBL7087354 0.78 CHRNA1 (0.30) CHRNA1CHRNA3CHRNA7
SCHEMBL12778028 0.68 CHRNA3 (0.47) CHRNA1CHRNA3CHRNA7SMN1; SMN2
SCHEMBL1747707 0.68 CHRNA3 (0.47) CHRNA1CHRNA3CHRNA7SMN1; SMN2
SCHEMBL7124862 0.67 CHRNA1 (0.36) CHRNA1CHRNA3CHRNA7SMN1; SMN2
SCHEMBL7124857 0.67 CHRNA1 (0.36) CHRNA1CHRNA3CHRNA7SMN1; SMN2
SCHEMBL7128344 0.66 CHRNA3 (0.57) CHRNA1CHRNA3CHRNA7SMN1; SMN2
SCHEMBL9025805 0.65 CHRNA1 (0.35) CHRNA1CHRNA3CHRNA7SMN1; SMN2
SCHEMBL7981651 0.65

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1313704-A2 COMPOUNDS USEFUL AS INSECTICIDES, COMPOUNDS USEFUL AS ACARICIDES, AND PROCESSES TO USE AND MAKE SAME Dow AgroSciences LLC (US) 2003-05-28 EP disclosed
WO-2002018339-A2 COMPOUNDS USEFUL AS INSECTICIDES, COMPOUNDS USEFUL AS ACARICIDES, AND PROCESSES TO USE AND MAKE SAME DOW AGROSCIENCES LLC (US) 2002-03-07 WO disclosed