SCHEMBL3733188

SCHEMBL3733188

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.43
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
KMT2A Q03164 1/20 0.40
HTR2A P28223 7/20 0.39
HRH1 P35367 7/20 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 0.34
CHRM2 P08172 1/20 0.34
HTR1A P08908 1/20 0.34
CHRM1 P11229 1/20 0.34
DRD1 P21728 1/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
ADRA1A P35348 1/20 0.34
OPRM1 P35372 1/20 0.34
DRD3 P35462 1/20 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
SCHEMBL27309973 0.82 SIGMAR1 (0.47) SIGMAR1MEN1ALDH1A1KMT2AHTR2A
SCHEMBL3734300 0.81 CHRNB2 (0.49) SIGMAR1MEN1ALDH1A1KMT2AHTR2A
SCHEMBL3730187 0.81 MEN1 (0.44) SIGMAR1MEN1ALDH1A1KMT2AHTR2A
Hydrochloric Acid SCHEMBL28696445 0.81 SIGMAR1 (0.46) SIGMAR1MEN1ALDH1A1KMT2AHTR2A
Hydrochloric Acid SCHEMBL28709746 0.81 SIGMAR1 (0.46) SIGMAR1MEN1ALDH1A1KMT2AHTR2A
Hydrochloric Acid SCHEMBL28712149 0.81 SIGMAR1 (0.46) SIGMAR1MEN1ALDH1A1KMT2AHTR2A
Hydrochloric Acid SCHEMBL3635488 0.81 SIGMAR1 (0.46) SIGMAR1MEN1ALDH1A1KMT2AHTR2A
Hydrochloric Acid SCHEMBL28712222 0.81 SIGMAR1 (0.46) SIGMAR1MEN1ALDH1A1KMT2AHTR2A
Bromide SCHEMBL28694187 0.81 SIGMAR1 (0.46) SIGMAR1MEN1ALDH1A1KMT2AHTR2A
Hydrochloric Acid SCHEMBL28705373 0.81 SIGMAR1 (0.46) SIGMAR1MEN1ALDH1A1KMT2AHTR2A

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