SCHEMBL7696111

SCHEMBL7696111

C=COC(=O)N1C2CCC1CC(C#N)(c1cncc(C#N)c1)C2

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.37
NPSR1 Q6W5P4 1/20 0.32
JAK3 P52333 2/20 0.32
RIPK2 O43353 1/20 0.30
CYP11B1 P15538 1/20 0.30
CYP11B2 P19099 1/20 0.30
KRAS P01116 1/20 0.30
GPR119 Q8TDV5 1/20 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
SCHEMBL7228279 0.90 GRM5 (0.33) GRM5NPSR1RIPK2
SCHEMBL7223958 0.88 NPSR1 (0.34) GRM5NPSR1RIPK2
SCHEMBL7223294 0.88 GRM5 (0.33) GRM5NPSR1RIPK2
SCHEMBL7985946 0.88 RIPK2 (0.32) GRM5NPSR1RIPK2
SCHEMBL7223856 0.84 CYP11B2 (0.35) GRM5NPSR1RIPK2CYP11B1CYP11B2
SCHEMBL16115912 0.83 GPR119 (0.43) GRM5GPR119
SCHEMBL17507199 0.83 GPR119 (0.43) GRM5GPR119
SCHEMBL17507200 0.83 GPR119 (0.43) GRM5GPR119
SCHEMBL7221991 0.82 NPSR1 (0.47) GRM5NPSR1
SCHEMBL7228357 0.82 CYP2C9 (0.38) GRM5RIPK2

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-2002057262-A2 BICYCLIC AMINES AS INSECTICIDES SYNGENTA LIMITED (GB) 2002-07-25 WO disclosed