SCHEMBL5976451

SCHEMBL5976451

O=C(O[C@@H]1C[N+]2(CCCc3cccs3)CCC1CC2)[C@](O)(c1cccs1)C1CCCC1

nearest known ligand 0.78

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 20/20 0.78
CHRM2 P08172 17/20 0.77
CHRM1 P11229 17/20 0.77
CHRM4 P08173 2/20 0.59
CHRM5 P08912 2/20 0.59
ADRA2A P08913 2/20 0.59
ADRA2C P18825 2/20 0.59
TACR1 P25103 2/20 0.59
ADRA1A P35348 2/20 0.59
HRH1 P35367 2/20 0.59
OPRK1 P41145 2/20 0.59
KCNH2 Q12809 2/20 0.59

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
SCHEMBL5979030 1.00 CHRM3 (0.78) CHRM3CHRM2CHRM1CHRM4CHRM5
SCHEMBL5978037 1.00 CHRM3 (0.78) CHRM3CHRM2CHRM1CHRM4CHRM5
Trifluoroacetic Acid SCHEMBL1234071 0.94 CHRM3 (0.70) CHRM3CHRM2CHRM1CHRM4CHRM5
Trifluoroacetic Acid SCHEMBL1233366 0.94 CHRM3 (0.70) CHRM3CHRM2CHRM1CHRM4CHRM5
Trifluoroacetic Acid SCHEMBL1234786 0.94 CHRM3 (0.70) CHRM3CHRM2CHRM1CHRM4CHRM5
SCHEMBL5975943 0.90 CHRM3 (0.81) CHRM3CHRM2CHRM1CHRM4CHRM5
SCHEMBL5979295 0.90 CHRM3 (0.81) CHRM3CHRM2CHRM1CHRM4CHRM5
SCHEMBL4636670 0.90 CHRM3 (0.80) CHRM3CHRM2CHRM1CHRM4CHRM5
SCHEMBL4637780 0.90 CHRM3 (0.80) CHRM3CHRM2CHRM1CHRM4CHRM5
SCHEMBL5978728 0.90 CHRM3 (0.68) CHRM3CHRM2CHRM1

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-1353919-B1 NOVEL QUINUCLIDINE DERIVATIVES AND MEDICINAL COMPOSITIONS CONTAINING THE SAME ALMIRALL PRODESFARMA AG (CH) 2006-07-26 EP claimed