SCHEMBL6256010

SCHEMBL6256010

CCCc1ccccc1N=C1OCCC1=Nc1c(C)cccc1C

nearest known ligand 0.31

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.31
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
HTT P42858 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
SCHEMBL6257035 0.81 CNR2 (0.34) CNR2CYP3A4CYP2D6CYP2C9
SCHEMBL6257038 0.81 CNR2 (0.34) CNR2CYP3A4CYP2D6CYP2C9
SCHEMBL6254252 0.76 CNR2 (0.34) CNR2CYP3A4CYP2D6CYP2C9
SCHEMBL6254250 0.76 CNR2 (0.34) CNR2CYP3A4CYP2D6CYP2C9
SCHEMBL6253700 0.74 ADRA2B (0.34) CNR2CYP3A4CYP2D6CYP2C9
SCHEMBL6253702 0.74 ADRA2B (0.34) CNR2CYP3A4CYP2D6CYP2C9
SCHEMBL6257142 0.68 CNR2 (0.38) CNR2CYP3A4CYP2D6CYP2C9
SCHEMBL6257145 0.68 CNR2 (0.38) CNR2CYP3A4CYP2D6CYP2C9
SCHEMBL6430829 0.65 MEN1 (0.36) CYP1A2HTT
SCHEMBL6430827 0.65 MEN1 (0.36) CYP1A2HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1521758-A1 LATE TRANSITION METAL CATALYSTS FOR OLEFIN POLYMERIZATION AND OLIGOMERIZATION Exxonmobil Chemical Patents Inc. (US) 2005-04-13 EP disclosed
WO-2004007509-A1 LATE TRANSITION METAL CATALYSTS FOR OLEFIN POLYMERIZATION AND OLIGOMERIZATION EXXONMOBIL CHEMICAL PATENTS INC. (US) 2004-01-22 WO disclosed