SCHEMBL6910637

SCHEMBL6910637

CCCNC1CC=C(C)CC1C

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.32
CYP1A2 P05177 1/20 0.32
HTR1A P08908 1/20 0.32
CYP2D6 P10635 1/20 0.32
DRD2 P14416 1/20 0.32
DRD4 P21917 1/20 0.32
DRD3 P35462 1/20 0.32
HTR5A P47898 1/20 0.32
KMT2A Q03164 1/20 0.32
FUCA1 P04066 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
SCHEMBL6908629 0.86 MEN1 (0.32) MEN1CYP1A2HTR1ACYP2D6DRD2
SCHEMBL6911884 0.85 FUCA1 (0.36) FUCA1
SCHEMBL6904580 0.76 DRD2 (0.37) CYP1A2HTR1ACYP2D6DRD2DRD4
SCHEMBL5864246 0.75
SCHEMBL6912851 0.74 DRD2 (0.36) MEN1CYP1A2HTR1ACYP2D6DRD2
SCHEMBL6907933 0.73 FUCA1 (0.34) MEN1CYP1A2HTR1ACYP2D6DRD2
SCHEMBL20063772 0.73 MAOB (0.38) DRD2DRD4DRD3HTR5AKMT2A
SCHEMBL6913216 0.71 FUCA1 (0.35) MEN1CYP1A2HTR1ACYP2D6DRD2
SCHEMBL14207861 0.70
SCHEMBL6905750 0.70 ALDH1A1 (0.34) MEN1CYP1A2HTR1ACYP2D6DRD2

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