SCHEMBL5069903

SCHEMBL5069903

CCN(CC)CCCC(C)N(C(=O)O)c1ccnc2cc(Cl)ccc12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 3/20 0.60
CHRM4 P08173 3/20 0.60
CHRM5 P08912 3/20 0.60
ADRA2A P08913 3/20 0.60
CHRM1 P11229 3/20 0.60
ADRA2B P18089 3/20 0.60
ADRA2C P18825 3/20 0.60
CHRM3 P20309 3/20 0.60
KCNH2 Q12809 3/20 0.60
TMEM97 Q5BJF2 2/20 0.60
SIGMAR1 Q99720 2/20 0.60
ACE2 Q9BYF1 2/20 0.60
CYP2D6 P10635 2/20 0.60
PRNP P04156 2/20 0.60
MTOR P42345 2/20 0.60
TDP1 Q9NUW8 2/20 0.60
CYP2C19 P33261 1/20 0.60
APP P05067 1/20 0.60
NQO2 P16083 1/20 0.60
NR4A2 P43354 1/20 0.60

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
SCHEMBL5074652 0.94 CHRM2 (0.65) CHRM2CHRM4CHRM5ADRA2ACHRM1
SCHEMBL1550558 0.89 KDM4E (0.46) CHRM2CHRM4CHRM5ADRA2ACHRM1
SCHEMBL1695719 0.88 KDM4E (0.46) CHRM2CHRM4CHRM5ADRA2ACHRM1
SCHEMBL5069884 0.85 CACNA2D1 (0.49) HSD17B10KDM4EMAPTNSD1
SCHEMBL18843927 0.85 HSD17B10 (0.62) CHRM2CHRM4CHRM5ADRA2ACHRM1
SCHEMBL18843869 0.85 HSD17B10 (0.60) CHRM2CHRM4CHRM5ADRA2ACHRM1
SCHEMBL18843929 0.84 HSD17B10 (0.59) CHRM2CHRM4CHRM5ADRA2ACHRM1
SCHEMBL18843930 0.84 HSD17B10 (0.61) CHRM2CHRM4CHRM5ADRA2ACHRM1
SCHEMBL18843897 0.84 HSD17B10 (0.59) CHRM2CHRM4CHRM5ADRA2ACHRM1
SCHEMBL25551631 0.84 CHRM2 (0.66) CHRM2CHRM4CHRM5ADRA2ACHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017165489-A1 ANTIVIRAL AGENTS FOR TREATING ZIKA AND DENGUE VIRUS INFECTIONS EMORY UNIVERSITY (US) 2017-09-28 WO claimed
EP-2694086-A1 MHC ENGAGEMENT AND CLIP MODULATION FOR THE TREATMENT OF DISEASE The Texas A&M University System (US) 2014-02-12 EP claimed
WO-2012138708-A1 MHC ENGAGEMENT AND CLIP MODULATION FOR THE TREATMENT OF DISEASE THE TEXAS A&M UNIVERSITY SYSTEM (US) 2012-10-11 WO claimed
WO-2012135632-A2 METHODS OF TREATING A SUBJECT HAVING BEEN EXPOSED TO A CATASTROPHIC EVENT THE TEXAS A&M UNIVERSITY SYSTEM (US) 2012-10-04 WO claimed
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
WO-2014160811-A1 COMPOSITIONS AND METHODS FOR TREATING NEUROPATHY CHILDREN'S MEDICAL CENTER CORPORATION (US) 2014-10-02 WO disclosed
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 disclosed
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 disclosed
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 disclosed