SCHEMBL7971885

SCHEMBL7971885

COc1cncc(C2(C#N)CC3CCC(C2)N3C=O)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.34
CYP11B1 P15538 2/20 0.33
CYP11B2 P19099 2/20 0.33
RIPK2 O43353 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
HTT P42858 1/20 0.31
HSD17B10 Q99714 1/20 0.31
PDE4A P27815 1/20 0.31
PDE4B Q07343 1/20 0.31
PDE4C Q08493 1/20 0.31
PDE4D Q08499 1/20 0.31
CHRNB2 P17787 5/20 0.31
CHRNA4 P43681 5/20 0.31
BACE1 P56817 1/20 0.31
BACE2 Q9Y5Z0 1/20 0.31
CHRNB4 P30926 4/20 0.30
CHRNA3 P32297 4/20 0.30

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
SCHEMBL7699063 0.88 CHRNB2 (0.34) CYP11B1CYP11B2RIPK2PDE4APDE4B
SCHEMBL7230387 0.85 KMT2A (0.40) KMT2ACYP11B1CYP11B2SMN1; SMN2KDM4E
SCHEMBL7972022 0.82 RIPK2 (0.32) RIPK2OPRL1
SCHEMBL7223598 0.82 OPRL1 (0.36) CYP11B1CYP11B2RIPK2CHRNB4CHRNA3
SCHEMBL7971900 0.77 CHRNB2 (0.38) KMT2ACYP11B1CYP11B2CHRNB2CHRNA4
SCHEMBL7661747 0.75 KMT2A (0.34) KMT2ACYP11B1CYP11B2PDE4APDE4B
SCHEMBL7221029 0.73 CHRNB2 (0.36) CYP11B1CYP11B2PDE4APDE4BPDE4C
SCHEMBL7986499 0.72 OPRL1 (0.34) OPRL1
SCHEMBL7697700 0.70 GRM5 (0.41) RIPK2PDE4APDE4BPDE4CPDE4D
SCHEMBL6573280 0.70 SLC6A4 (0.37) RIPK2CHRNB2CHRNA4CHRNB4CHRNA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6294545-B1 INSECTICIDES SYNGENTA LIMITED (GB) 2001-09-25 US disclosed
EP-1033914-A1 BICYCLIC AMINES AND THEIR USE AS INSECTICIDES ZENECA LIMITED (GB) 2000-09-13 EP disclosed
WO-1999026478-A1 BICYCLIC AMINES AND THEIR USE AS INSECTICIDES ZENECA LIMITED (GB) 1999-06-03 WO disclosed