SCHEMBL6577249

SCHEMBL6577249

CC(=O)ON1C2CCC1CC(C#N)(c1cncc(Cl)c1)C2

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 1/20 0.33
RIPK2 O43353 1/20 0.33
CHEK1 O14757 3/20 0.33
SLC6A4 P31645 2/20 0.32
SLC6A3 Q01959 2/20 0.32
CYP11B2 P19099 1/20 0.31
KDM1A O60341 1/20 0.31
PDE4A P27815 3/20 0.31
PDE4B Q07343 3/20 0.31
PDE4C Q08493 3/20 0.31
PDE4D Q08499 3/20 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
SCHEMBL7223809 0.85 GRM5 (0.36) OPRL1RIPK2CHEK1SLC6A4SLC6A3
SCHEMBL6573280 0.85 SLC6A4 (0.37) OPRL1RIPK2SLC6A4SLC6A3
SCHEMBL6574294 0.84 OPRL1 (0.39) OPRL1RIPK2
SCHEMBL8174171 0.82 OPRL1 (0.36) OPRL1RIPK2CHEK1CYP11B2
SCHEMBL8184433 0.82 OPRL1 (0.36) OPRL1RIPK2CHEK1CYP11B2
SCHEMBL6573291 0.81 OPRL1 (0.38) OPRL1SLC6A4SLC6A3CYP11B2
SCHEMBL6617335 0.81 OPRL1 (0.41) OPRL1CHEK1SLC6A4SLC6A3CYP11B2
SCHEMBL7222052 0.81 OPRL1 (0.35) OPRL1RIPK2CHEK1CYP11B2
SCHEMBL7952198 0.81 GRM5 (0.41) OPRL1RIPK2PDE4APDE4BPDE4C
SCHEMBL8188621 0.80 NPSR1 (0.34) OPRL1RIPK2CHEK1CYP11B2

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
EP-0901490-B1 BICYCLIC AMINES AS INSECTICIDES SYNGENTA LTD (GB) 2004-04-07 EP disclosed