SCHEMBL7223809

SCHEMBL7223809

CC(=O)N1C2CCC1CC(C#N)(c1cncc(Cl)c1)C2

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 3/20 0.36
OPRL1 P41146 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
RIPK2 O43353 1/20 0.33
HTT P42858 2/20 0.32
CHEK1 O14757 1/20 0.32
CYP11B2 P19099 1/20 0.32
GAA P10253 1/20 0.32
KDM1A O60341 4/20 0.32
SLC6A4 P31645 2/20 0.31
SLC6A3 Q01959 2/20 0.31
CYP2C19 P33261 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 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
SCHEMBL8174171 0.90 OPRL1 (0.36) GRM5OPRL1NPSR1RIPK2CHEK1
SCHEMBL8184433 0.90 OPRL1 (0.36) GRM5OPRL1NPSR1RIPK2CHEK1
SCHEMBL7222052 0.88 OPRL1 (0.35) GRM5OPRL1NPSR1RIPK2CHEK1
SCHEMBL8188621 0.87 NPSR1 (0.34) OPRL1NPSR1RIPK2CHEK1CYP11B2
SCHEMBL7222906 0.86 OPRL1 (0.35) GRM5OPRL1NPSR1RIPK2CHEK1
SCHEMBL7952198 0.85 GRM5 (0.41) GRM5OPRL1NPSR1RIPK2GAA
SCHEMBL6577249 0.85 OPRL1 (0.33) OPRL1RIPK2CHEK1CYP11B2KDM1A
SCHEMBL7230570 0.85 GAA (0.35) GRM5OPRL1NPSR1RIPK2HTT
SCHEMBL6573291 0.84 OPRL1 (0.38) OPRL1CYP11B2SLC6A4SLC6A3
SCHEMBL6617335 0.84 OPRL1 (0.41) OPRL1CHEK1CYP11B2GAASLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6573275-B1 Insecticidal compositions comprising and to methods of combatting and controlling insect pests therewith. SYNGENTA LIMITED (GB) 2003-06-03 US disclosed
EP-0828739-B1 BICYCLIC AMINES AS INSECTICIDES SYNGENTA LTD (GB) 2002-09-11 EP disclosed
US-6391883-B1 INSECTICIDES SYNGENTA LIMITED (GB) 2002-05-21 US disclosed
US-6207676-B1 Bicyclic amines ZENECA LIMITED (GB) 2001-03-27 US disclosed
EP-0828739-A1 BICYCLIC AMINES AS INSECTICIDES ZENECA LIMITED (GB) 1998-03-18 EP disclosed
WO-1996037494-A1 BICYCLIC AMINES AS INSECTICIDES ZENECA LIMITED (GB) 1996-11-28 WO disclosed