SCHEMBL7228357

SCHEMBL7228357

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

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
GRM5 P41594 1/20 0.35
DPP4 P27487 1/20 0.34
DPP8 Q6V1X1 1/20 0.34
DPP9 Q86TI2 1/20 0.34
DPP7 Q9UHL4 1/20 0.34
ATM Q13315 1/20 0.33
RIPK2 O43353 1/20 0.33
RAB9A P51151 2/20 0.32
ALDH1A1 P00352 2/20 0.32
NPC1 O15118 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CPT2 P23786 1/20 0.31
CPT1A P50416 1/20 0.31
GAA P10253 1/20 0.30
CYP19A1 P11511 1/20 0.30
LMNA P02545 1/20 0.30
MAPK1 P28482 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
SCHEMBL7223958 0.86 NPSR1 (0.34) CYP2C19GRM5RIPK2GAA
SCHEMBL7223294 0.82 GRM5 (0.33) GRM5RIPK2
SCHEMBL7985946 0.82 RIPK2 (0.32) GRM5RIPK2
SCHEMBL7228279 0.82 GRM5 (0.33) GRM5RIPK2
SCHEMBL7696111 0.82 GRM5 (0.37) GRM5RIPK2
SCHEMBL7952198 0.79 GRM5 (0.41) GRM5RIPK2GAA
SCHEMBL7223856 0.79 CYP11B2 (0.35) CYP2C19GRM5RIPK2
SCHEMBL7697700 0.78 GRM5 (0.41) GRM5RIPK2GAA
SCHEMBL7221991 0.77 NPSR1 (0.47) CYP2C19GRM5ALDH1A1SMN1; SMN2GAA
SCHEMBL7228283 0.76 RIPK2 (0.33) RIPK2

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