SCHEMBL1695306

SCHEMBL1695306

CCN(CCO)CCCC[N+](C)(C(=O)O)c1ccnc2cc(F)ccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 1/20 0.44
CHRM2 P08172 2/20 0.41
CHRM4 P08173 2/20 0.41
CHRM5 P08912 2/20 0.41
ADRA2A P08913 2/20 0.41
CHRM1 P11229 2/20 0.41
ADRA2B P18089 2/20 0.41
ADRA2C P18825 2/20 0.41
CHRM3 P20309 2/20 0.41
KCNH2 Q12809 2/20 0.41
TMEM97 Q5BJF2 2/20 0.41
SIGMAR1 Q99720 2/20 0.41
ACE2 Q9BYF1 2/20 0.41
LMNA P02545 1/20 0.41
ADRA1D P25100 1/20 0.41
CGAS Q8N884 1/20 0.41
TLR9 Q9NR96 1/20 0.41
TLR7 Q9NYK1 1/20 0.41
EGFR P00533 3/20 0.36
KDR P35968 3/20 0.36

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
SCHEMBL5074650 0.94 HRH3 (0.37) CDK1CHRM2CHRM4CHRM5ADRA2A
SCHEMBL1549840 0.89 CDK1 (0.45) CDK1CHRM2CHRM4CHRM5ADRA2A
SCHEMBL1550275 0.88 CDK1 (0.58) CDK1CHRM2CHRM4CHRM5ADRA2A
SCHEMBL5074602 0.86 CDK1 (0.40) CDK1CHRM2CHRM4CHRM5ADRA2A
SCHEMBL1695427 0.83 XDH (0.38) CDK1CHRM2CHRM4CHRM5ADRA2A
SCHEMBL1550279 0.82 KCNH2 (0.49) CDK1CHRM2CHRM4CHRM5ADRA2A
SCHEMBL1695273 0.80 CDK1 (0.47) CDK1CHRM2CHRM4CHRM5ADRA2A
SCHEMBL5071905 0.79 CACNA2D1 (0.43) KCNH2LMNAKDM4EMEN1ALDH1A1
SCHEMBL5074576 0.76 CDK1 (0.49) CDK1CHRM2CHRM4CHRM5ADRA2A
SCHEMBL5074614 0.75 TMEM97 (0.50) CDK1CHRM2CHRM4CHRM5ADRA2A

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 8 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
WO-2023043953-A1 COMPOSITIONS AND METHODS OF TREATING FACIOSCAPULOHUMERAL MUSCULAR DYSTROPHY AVIDITY BIOSCIENCES, INC. (US) 2023-03-23 WO disclosed
EP-2585113-A1 OPTIMIZED IN VIVO DELIVERY SYSTEM WITH ENDOSOMOLYTIC AGENTS FOR NUCLEIC ACID CONJUGATES DNA Therapeutics (FR) 2013-05-01 EP disclosed
WO-2012163814-A1 CANCER TREATMENT BY COMBINING DNA MOLECULES MIMICKING DOUBLE STRAND BREAKS WITH HYPERTHERMIA INSTITUT CURIE (FR) 2012-12-06 WO disclosed
WO-2011161075-A1 OPTIMIZED IN VIVO DELIVERY SYSTEM WITH ENDOSOMOLYTIC AGENTS FOR NUCLEIC ACID CONJUGATES DNA THERAPEUTICS (FR) 2011-12-29 WO disclosed