SCHEMBL7063880

SCHEMBL7063880

CCN(CCO)CCCC([AsH]c1ccnc2cc(O)ccc12)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TMEM97 Q5BJF2 3/20 0.47
SIGMAR1 Q99720 3/20 0.47
CHRM2 P08172 2/20 0.47
CHRM4 P08173 2/20 0.47
CHRM5 P08912 2/20 0.47
ADRA2A P08913 2/20 0.47
CHRM1 P11229 2/20 0.47
ADRA2B P18089 2/20 0.47
ADRA2C P18825 2/20 0.47
CHRM3 P20309 2/20 0.47
KCNH2 Q12809 2/20 0.47
ACE2 Q9BYF1 2/20 0.47
LMNA P02545 1/20 0.47
ADRA1D P25100 1/20 0.47
CGAS Q8N884 1/20 0.47
TLR9 Q9NR96 1/20 0.47
TLR7 Q9NYK1 1/20 0.47
CDK1 P06493 1/20 0.44
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL709193 0.80 KCNH2 (0.60) TMEM97SIGMAR1CHRM2CHRM4CHRM5
SCHEMBL1695397 0.78 TMEM97 (0.51) TMEM97SIGMAR1CHRM2CHRM4CHRM5
SCHEMBL1695270 0.76 CDK1 (0.47) TMEM97SIGMAR1CHRM2CHRM4CHRM5
SCHEMBL709359 0.75 CHRM2 (0.80) TMEM97SIGMAR1CHRM2CHRM4CHRM5
SCHEMBL1549840 0.73 CDK1 (0.45) TMEM97SIGMAR1CHRM2CHRM4CHRM5
SCHEMBL708741 0.73 CHRM2 (0.56) TMEM97SIGMAR1CHRM2CHRM4CHRM5
SCHEMBL6433202 0.73 CDK1 (0.50) TMEM97SIGMAR1CHRM2CHRM4CHRM5
SCHEMBL706212 0.72 CDK1 (0.52) TMEM97SIGMAR1CHRM2CHRM4CHRM5
SCHEMBL710402 0.71 CDK1 (0.74) TMEM97SIGMAR1CHRM2CHRM4CHRM5
SCHEMBL1550558 0.71 KDM4E (0.46) TMEM97SIGMAR1CHRM2CHRM4CHRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040229908-A1 Compositions and methods for the treatment of Parkinson's disease and tardive dyskinesias Greenlee, Winner and Sullivan, P.C. 2004-11-18 US claimed