SCHEMBL3730187

SCHEMBL3730187

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
KMT2A Q03164 1/20 0.44
SIGMAR1 Q99720 1/20 0.40
HTR2A P28223 4/20 0.39
HRH1 P35367 4/20 0.39
ADRA2A P08913 2/20 0.39
KCNH2 Q12809 2/20 0.39
PGR P06401 1/20 0.39
ADRA2B P18089 1/20 0.39
LMNA P02545 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
KCNA5 P22460 1/20 0.36
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36
OPRD1 P41143 1/20 0.36
NR1H2 P55055 3/20 0.35
NR1H3 Q13133 3/20 0.35
TAAR1 Q96RJ0 2/20 0.34
AOC3 Q16853 2/20 0.34

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
SCHEMBL2595023 0.83 LMNA (0.46) MEN1ALDH1A1KMT2ASIGMAR1HTR2A
SCHEMBL3733188 0.81 SIGMAR1 (0.43) MEN1ALDH1A1KMT2ASIGMAR1HTR2A
Hydrochloric Acid SCHEMBL2455720 0.81 MEN1 (0.45) MEN1ALDH1A1KMT2ASIGMAR1HTR2A
Bromide SCHEMBL6625831 0.81 MEN1 (0.45) MEN1ALDH1A1KMT2ASIGMAR1HTR2A
SCHEMBL17803383 0.79 TAAR1 (0.48) MEN1ALDH1A1KMT2ASIGMAR1HTR2A
Hydrochloric Acid SCHEMBL27845404 0.79 MEN1 (0.44) MEN1ALDH1A1KMT2ASIGMAR1HTR2A
SCHEMBL5403210 0.79 NR1H2 (0.48) MEN1ALDH1A1KMT2ASIGMAR1HTR2A
SCHEMBL3727786 0.78 HTR2A (0.46) MEN1ALDH1A1KMT2AHTR2AHRH1
SCHEMBL12150879 0.78 SLC6A2 (0.47) MEN1ALDH1A1KMT2ASIGMAR1HTR2A
SCHEMBL12150878 0.78 SLC6A2 (0.47) MEN1ALDH1A1KMT2ASIGMAR1HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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