SCHEMBL6910517

SCHEMBL6910517

CCNC1CC(C)=C(C)C1

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.39
DRD2 P14416 2/20 0.36
HRH3 Q9Y5N1 2/20 0.33
DRD4 P21917 1/20 0.33
DRD3 P35462 1/20 0.33

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
SCHEMBL6910912 0.84 DRD3 (0.41) KCNH2DRD2DRD4DRD3
SCHEMBL6903938 0.79 DRD2 (0.39) DRD2DRD4DRD3
SCHEMBL24945687 0.70 CRBN (0.46) KCNH2DRD2
SCHEMBL6913437 0.70 FUCA1 (0.41)
SCHEMBL4859978 0.70 GRIN2B (0.55) DRD2HRH3DRD4DRD3
SCHEMBL1142602 0.69 KCNH2 (0.52) KCNH2DRD2DRD4DRD3
SCHEMBL549384 0.69
SCHEMBL25042763 0.69 KCNH2 (0.52) KCNH2DRD2DRD4DRD3
SCHEMBL6845304 0.69 KCNH2 (0.46) KCNH2
Hydrochloric Acid SCHEMBL1026811 0.69 GRIN2B (0.53) DRD2HRH3DRD4DRD3

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-1066337-B1 OXYGEN SCAVENGERS WITH REDUCED OXIDATION PRODUCTS FOR USE IN PLASTIC FILMS AND BEVERAGE AND FOOD CONTAINERS CHEVRON PHILLIPS CHEMICAL CO (US) 2004-11-03 EP claimed