SCHEMBL4556284

SCHEMBL4556284

Cc1n(CCOC(=O)C(O)(c2cccs2)c2cccs2)cc[n+]1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 15/20 0.38
CHRM2 P08172 13/20 0.38
CHRM1 P11229 11/20 0.38
CHRM4 P08173 4/20 0.38
ALDH1A1 P00352 1/20 0.37
CHRM5 P08912 3/20 0.34
ADRA1A P35348 3/20 0.34
HRH1 P35367 3/20 0.34
OPRK1 P41145 3/20 0.34
KCNH2 Q12809 3/20 0.34
TSPO P30536 1/20 0.34
PDE3A Q14432 1/20 0.34
TMEM97 Q5BJF2 1/20 0.34
ADRA2A P08913 2/20 0.33
ADRA2C P18825 2/20 0.33
TACR1 P25103 2/20 0.33
ACHE P22303 2/20 0.33
POLB P06746 1/20 0.32
GAA P10253 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
Bromide SCHEMBL2798000 0.99 CHRM3 (0.37) CHRM3CHRM2CHRM1CHRM4ALDH1A1
SCHEMBL4556790 0.94 CHRM3 (0.37) CHRM3CHRM2CHRM1CHRM4ALDH1A1
Bromide SCHEMBL2793609 0.93 CHRM3 (0.37) CHRM3CHRM2CHRM1CHRM4ALDH1A1
Bromide SCHEMBL2794543 0.92 ALDH1A1 (0.45) CHRM3CHRM2CHRM1CHRM4ALDH1A1
SCHEMBL4556351 0.87 CHRM3 (0.39) CHRM3CHRM2CHRM1CHRM4ALDH1A1
SCHEMBL4570028 0.87 ALDH1A1 (0.42) CHRM3CHRM2CHRM1CHRM4ALDH1A1
Bromide SCHEMBL2791902 0.86 CHRM3 (0.38) CHRM3CHRM2CHRM1CHRM4ALDH1A1
Bromide SCHEMBL2795709 0.86 ALDH1A1 (0.41) CHRM3CHRM2CHRM1CHRM4ALDH1A1
Bromide SCHEMBL2793787 0.83 CA1 (0.52) CHRM3CHRM2CHRM1CHRM4ALDH1A1
Bromide SCHEMBL2793813 0.82 CHRM3 (0.39) CHRM3CHRM2CHRM1CHRM4ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2129663-A2 MUSCARINIC RECEPTOR ANTAGONISTS Ranbaxy Laboratories Limited (IN) 2009-12-09 EP claimed
WO-2008104942-A2 MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2008-09-04 WO claimed