SCHEMBL880930

SCHEMBL880930

O=C(CC(c1cccc(F)c1)c1cccc(F)c1)O[C@H]1C[N+]2(CCOc3ccccc3)CCC1CC2

nearest known ligand 0.59

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 20/20 0.59
CHRM2 P08172 14/20 0.59
CHRM1 P11229 11/20 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
SCHEMBL229698 0.86 CHRM3 (0.59) CHRM3CHRM2CHRM1
SCHEMBL229699 0.86 CHRM3 (0.59) CHRM3CHRM2CHRM1
SCHEMBL10077934 0.81 CHRM2 (0.48) CHRM3CHRM2CHRM1
SCHEMBL10076905 0.79 CHRM3 (0.40) CHRM3CHRM2CHRM1
SCHEMBL5006038 0.79 CHRM3 (0.57) CHRM3CHRM2CHRM1
SCHEMBL880941 0.77 CHRM3 (0.40) CHRM3CHRM2CHRM1
Bromide SCHEMBL13517111 0.76 CHRM3 (0.53) CHRM3CHRM2CHRM1
Bromide SCHEMBL13517110 0.76 CHRM3 (0.53) CHRM3CHRM2CHRM1
Bromide SCHEMBL2817830 0.75 CHRM2 (0.87) CHRM3CHRM2CHRM1
SCHEMBL5006863 0.75 CHRM2 (0.86) 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-2313404-B1 QUINUCLIDINE CARBONATE DERIVATIVES AND MEDICINAL COMPOSITION THEREOF CHIESI FARMA SPA (IT) 2012-03-28 EP disclosed