SCHEMBL880916

SCHEMBL880916

O=C(OP)OC1C[N+]2(CCCOc3ccccc3)CCC1CC2

nearest known ligand 0.68

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 20/20 0.68
CHRM2 P08172 18/20 0.68
CHRM1 P11229 15/20 0.68
CHRM4 P08173 2/20 0.61
CHRM5 P08912 2/20 0.61
ADRA2A P08913 2/20 0.61
ADRA2C P18825 2/20 0.61
TACR1 P25103 2/20 0.61
ADRA1A P35348 2/20 0.61
HRH1 P35367 2/20 0.61
OPRK1 P41145 2/20 0.61
KCNH2 Q12809 2/20 0.61

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
SCHEMBL228935 0.84 CHRM3 (0.67) CHRM3CHRM2CHRM1CHRM4CHRM5
SCHEMBL228936 0.84 CHRM3 (0.67) CHRM3CHRM2CHRM1CHRM4CHRM5
SCHEMBL231036 0.83 CHRM3 (0.63) CHRM3CHRM2CHRM1CHRM4CHRM5
SCHEMBL231037 0.83 CHRM3 (0.63) CHRM3CHRM2CHRM1CHRM4CHRM5
SCHEMBL71824 0.82 CHRM3 (0.74) CHRM3CHRM2CHRM1CHRM4CHRM5
SCHEMBL72821 0.81 CHRM3 (1.00) CHRM3CHRM2CHRM1
SCHEMBL72820 0.81 CHRM3 (1.00) CHRM3CHRM2CHRM1
SCHEMBL73911 0.80 CHRM3 (1.00) CHRM3CHRM2CHRM1
SCHEMBL73912 0.80 CHRM3 (1.00) CHRM3CHRM2CHRM1
SCHEMBL13282703 0.79 CHRM3 (0.62) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2313404-B1 QUINUCLIDINE CARBONATE DERIVATIVES AND MEDICINAL COMPOSITION THEREOF CHIESI FARMA SPA (IT) 2012-03-28 EP disclosed