SCHEMBL5071978

SCHEMBL5071978

CCN(CCO)CCCC(C)N(C(=O)O)c1ccnc2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.46
CHRM2 P08172 1/20 0.46
CHRM4 P08173 1/20 0.46
CHRM5 P08912 1/20 0.46
ADRA2A P08913 1/20 0.46
CHRM1 P11229 1/20 0.46
ADRA2B P18089 1/20 0.46
ADRA2C P18825 1/20 0.46
CHRM3 P20309 1/20 0.46
ADRA1D P25100 1/20 0.46
KCNH2 Q12809 1/20 0.46
TMEM97 Q5BJF2 1/20 0.46
CGAS Q8N884 1/20 0.46
SIGMAR1 Q99720 1/20 0.46
ACE2 Q9BYF1 1/20 0.46
TLR9 Q9NR96 1/20 0.46
TLR7 Q9NYK1 1/20 0.46
CACNA2D1 P54289 7/20 0.43
SLC2A1 P11166 1/20 0.40
CDK1 P06493 1/20 0.39

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
SCHEMBL5069884 0.94 CACNA2D1 (0.49) CACNA2D1SLC2A1CCR4KDM4EMAPT
SCHEMBL1695397 0.87 TMEM97 (0.51) LMNACHRM2CHRM4CHRM5ADRA2A
SCHEMBL5074614 0.86 TMEM97 (0.50) LMNACHRM2CHRM4CHRM5ADRA2A
SCHEMBL5074652 0.86 CHRM2 (0.65) LMNACHRM2CHRM4CHRM5ADRA2A
SCHEMBL5073627 0.83 HRH3 (0.44) LMNACHRM2CHRM4CHRM5ADRA2A
SCHEMBL1550558 0.80 KDM4E (0.46) LMNACHRM2CHRM4CHRM5ADRA2A
SCHEMBL1695719 0.80 KDM4E (0.46) LMNACHRM2CHRM4CHRM5ADRA2A
SCHEMBL5069903 0.80 CHRM2 (0.60) LMNACHRM2CHRM4CHRM5ADRA2A
SCHEMBL4959781 0.78 CHRM2 (0.56) LMNACHRM2CHRM4CHRM5ADRA2A
SCHEMBL1695377 0.77 HRH3 (0.54) LMNACHRM2CHRM4CHRM5ADRA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1581167-A4 COMPOSITIONS AND METHODS FOR THE TREATMENT OF PARKINSON'S DISEASE AND TARDIVE DYSKINESIAS ALPHA RES GROUP LLC (US) 2008-10-29 EP claimed
JP-2006514917-A 2006-05-18 JP claimed
EP-1581167-A2 COMPOSITIONS AND METHODS FOR THE TREATMENT OF PARKINSON'S DISEASE AND TARDIVE DYSKINESIAS Alpha Research Group, LLC (US) 2005-10-05 EP claimed
WO-2004004660-A2 COMPOSITIONS AND METHODS FOR THE TREATMENT OF PARKINSON’S DISEASE AND TARDIVE DYSKINESIAS ALPHA RESEARCH GROUP, L.L.C. (US) 2004-01-15 WO claimed