SCHEMBL1111151

SCHEMBL1111151

C=Cc1ccccc1CNCCCOC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.47
TYMS P04818 1/20 0.47
CHRM2 P08172 13/20 0.45
BCHE P06276 5/20 0.45
ACHE P22303 5/20 0.45
CHRM4 P08173 5/20 0.45
CHRM5 P08912 5/20 0.45
CHRM1 P11229 5/20 0.45
CHRM3 P20309 5/20 0.45
GRIN1 Q05586 4/20 0.45
GRIN2A Q12879 4/20 0.45
RECQL P46063 2/20 0.45
TP53 P04637 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
TSHR P16473 1/20 0.45
THPO P40225 1/20 0.45
MEN1 O00255 1/20 0.44
POLB P06746 1/20 0.44
MAPT P10636 1/20 0.44

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
SCHEMBL9779329 0.83 CHRM2 (0.45) KDM4ECHRM2BCHEACHECHRM4
Ammonia Solution, Strong SCHEMBL11032131 0.81 CHRM2 (0.44) KDM4ECHRM2BCHEACHECHRM4
Hydrochloric Acid SCHEMBL8952424 0.81 CHRM2 (0.44) KDM4ECHRM2BCHEACHECHRM4
SCHEMBL11033797 0.81 CHRM2 (0.47) CHRM2BCHEACHECHRM4CHRM5
SCHEMBL10626624 0.80 CHRM2 (0.50) CHRM2BCHEACHECHRM4CHRM5
SCHEMBL9779058 0.80 CHRM2 (0.50) CHRM2BCHEACHECHRM4CHRM5
SCHEMBL8780182 0.80 CA12 (0.47) KDM4ECHRM2BCHEACHECHRM4
SCHEMBL959300 0.79 CHRM2 (0.47) CHRM2BCHEACHECHRM4CHRM5
SCHEMBL18528700 0.79 CHRM2 (0.43) CHRM2BCHEACHECHRM4CHRM5
SCHEMBL29047009 0.79 CHRM2 (0.42) KDM4ECHRM2GRIN1GRIN2ACYP2D6

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-2280033-B1 DICYCLOPENTADIENE METATHESIS POLYMERISATION CATALYST LTD LIABILITY COMPANY UNITED RES AND DEV CT (RU) 2014-03-12 EP disclosed
EP-2280033-A1 DICYCLOPENTADIENE METATHESIS POLYMERISATION CATALYST Limited Liability Company "United Research and Development Centre" (RU) 2011-02-02 EP disclosed