SCHEMBL4556790

SCHEMBL4556790

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

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 16/20 0.37
CHRM2 P08172 12/20 0.36
CHRM1 P11229 10/20 0.36
CHRM4 P08173 4/20 0.35
CHRM5 P08912 3/20 0.35
ADRA1A P35348 3/20 0.35
HRH1 P35367 3/20 0.35
OPRK1 P41145 3/20 0.35
KCNH2 Q12809 3/20 0.35
TSPO P30536 1/20 0.35
PDE3A Q14432 1/20 0.35
TMEM97 Q5BJF2 1/20 0.35
ALDH1A1 P00352 1/20 0.34
ADRA2A P08913 2/20 0.34
ADRA2C P18825 2/20 0.34
TACR1 P25103 2/20 0.34
ACHE P22303 2/20 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 SCHEMBL2793609 0.99 CHRM3 (0.37) CHRM3CHRM2CHRM1CHRM4CHRM5
SCHEMBL4556284 0.94 CHRM3 (0.38) CHRM3CHRM2CHRM1CHRM4CHRM5
SCHEMBL4570028 0.93 ALDH1A1 (0.42) CHRM3CHRM2CHRM1CHRM4CHRM5
Bromide SCHEMBL2798000 0.93 CHRM3 (0.37) CHRM3CHRM2CHRM1CHRM4CHRM5
Bromide SCHEMBL2795709 0.92 ALDH1A1 (0.41) CHRM3CHRM2CHRM1CHRM4CHRM5
Bromide SCHEMBL2795792 0.87 CHRM3 (0.36) CHRM3CHRM2CHRM1CHRM4CHRM5
Bromide SCHEMBL2794543 0.86 ALDH1A1 (0.45) CHRM3CHRM2CHRM1CHRM4CHRM5
Bromide SCHEMBL2795514 0.85 CA1 (0.42) CHRM3CHRM2CHRM1CHRM4CHRM5
Bromide SCHEMBL2790968 0.82 CA1 (0.40) CHRM3CHRM2CHRM1CHRM4CHRM5
Bromide SCHEMBL2792251 0.81 CHRM3 (0.43) CHRM3CHRM2CHRM1CHRM4CHRM5

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