SCHEMBL5074602

SCHEMBL5074602

CCN(CCO)CCCC[N+](C)(C(=O)O)c1ccnc2ccccc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 1/20 0.40
GAA P10253 2/20 0.38
HTR2C P28335 1/20 0.38
HTR2B P41595 1/20 0.38
CACNA2D1 P54289 2/20 0.37
LMNA P02545 4/20 0.37
KCNH2 Q12809 2/20 0.37
CHRM2 P08172 1/20 0.37
CHRM4 P08173 1/20 0.37
CHRM5 P08912 1/20 0.37
ADRA2A P08913 1/20 0.37
CHRM1 P11229 1/20 0.37
ADRA2B P18089 1/20 0.37
ADRA2C P18825 1/20 0.37
CHRM3 P20309 1/20 0.37
ADRA1D P25100 1/20 0.37
TMEM97 Q5BJF2 1/20 0.37
CGAS Q8N884 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
ACE2 Q9BYF1 1/20 0.37

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
SCHEMBL5071905 0.93 CACNA2D1 (0.43) GAAHTR2CHTR2BCACNA2D1LMNA
SCHEMBL1549840 0.87 CDK1 (0.45) CDK1LMNAKCNH2CHRM2CHRM4
SCHEMBL1695306 0.86 CDK1 (0.44) CDK1LMNAKCNH2CHRM2CHRM4
SCHEMBL1550275 0.86 CDK1 (0.58) CDK1GAAHTR2BLMNAKCNH2
SCHEMBL1695427 0.80 XDH (0.38) CDK1CACNA2D1LMNAKCNH2CHRM2
SCHEMBL1550279 0.79 KCNH2 (0.49) CDK1GAAHTR2BLMNAKCNH2
SCHEMBL5074650 0.79 HRH3 (0.37) CDK1LMNAKCNH2CHRM2CHRM4
SCHEMBL5073627 0.78 HRH3 (0.44) CDK1GAAHTR2CHTR2BCACNA2D1
SCHEMBL1695377 0.74 HRH3 (0.54) CDK1GAACACNA2D1LMNAKCNH2
SCHEMBL5071978 0.73 LMNA (0.46) CDK1CACNA2D1LMNAKCNH2CHRM2

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 6 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
WO-2012163814-A1 CANCER TREATMENT BY COMBINING DNA MOLECULES MIMICKING DOUBLE STRAND BREAKS WITH HYPERTHERMIA INSTITUT CURIE (FR) 2012-12-06 WO disclosed