SCHEMBL3727786

SCHEMBL3727786

[Li]CC(c1ccccc1)N(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 4/20 0.46
HRH1 P35367 4/20 0.46
CHRNB2 P17787 1/20 0.46
CHRNB4 P30926 1/20 0.46
CHRNA3 P32297 1/20 0.46
CHRNA4 P43681 1/20 0.46
TDP1 Q9NUW8 1/20 0.45
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.42
AOC3 Q16853 2/20 0.41
OPRM1 P35372 3/20 0.40
OPRD1 P41143 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
LMNA P02545 1/20 0.38
CYP1A2 P05177 1/20 0.38
CHRM2 P08172 1/20 0.38
CHRM4 P08173 1/20 0.38
CHRM5 P08912 1/20 0.38
ADRA2A P08913 1/20 0.38

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
SCHEMBL3734300 0.79 CHRNB2 (0.49) HTR2AHRH1CHRNB2CHRNB4CHRNA3
SCHEMBL171013 0.79 HTR2A (0.48) HTR2AHRH1CHRNB2CHRNB4CHRNA3
SCHEMBL8926699 0.79 HTR2A (0.48) HTR2AHRH1CHRNB2CHRNB4CHRNA3
SCHEMBL119104 0.79 HTR2A (0.48) HTR2AHRH1CHRNB2CHRNB4CHRNA3
SCHEMBL3730187 0.78 MEN1 (0.44) HTR2AHRH1TDP1ALDH1A1AOC3
Hydrochloric Acid SCHEMBL18378384 0.77 TDP1 (0.50) HTR2AHRH1CHRNB2CHRNB4CHRNA3
SCHEMBL817422 0.77 KDM4E (0.52) HTR2AHRH1CHRNB2CHRNB4CHRNA3
SCHEMBL9769221 0.77 HTR2A (0.46) HTR2AHRH1CHRNB2CHRNB4CHRNA3
SCHEMBL8319820 0.77 HTR2A (0.46) HTR2AHRH1CHRNB2CHRNB4CHRNA3
SCHEMBL1206432 0.77 KDM4E (0.52) HTR2AHRH1CHRNB2CHRNB4CHRNA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080161519-A1 Catalyst System for Synthesizing Amine Functionalized Rubbery Polymers THE GOODYEAR TIRE & RUBBER COMPANY 2008-07-03 US claimed
EP-1939224-A1 Catalyst system for synthesizing amine functionalized rubbery polymers THE GOODYEAR TIRE & RUBBER COMPANY (US) 2008-07-02 EP claimed
US-7825203-B2 Catalyst system for synthesizing amine functionalized rubbery polymers THE GOODYEAR TIRE & RUBBER COMPANY (US) 2010-11-02 US disclosed
US-20080161519-A1 Catalyst System for Synthesizing Amine Functionalized Rubbery Polymers THE GOODYEAR TIRE & RUBBER COMPANY 2008-07-03 US disclosed
EP-1939224-A1 Catalyst system for synthesizing amine functionalized rubbery polymers THE GOODYEAR TIRE & RUBBER COMPANY (US) 2008-07-02 EP disclosed