SCHEMBL5977846

SCHEMBL5977846

O=C(O[C@H]1C[N+]2(CCCc3ccccc3)CCC1CC2)[C@](O)(c1ccco1)C1CCCC1

nearest known ligand 0.64

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 20/20 0.64
CHRM2 P08172 18/20 0.64
CHRM1 P11229 6/20 0.56

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
SCHEMBL5979321 1.00 CHRM3 (0.64) CHRM3CHRM2CHRM1
SCHEMBL5979018 0.99 CHRM3 (0.62) CHRM3CHRM2CHRM1
SCHEMBL5978326 0.99 CHRM3 (0.62) CHRM3CHRM2CHRM1
SCHEMBL5978512 0.95 CHRM3 (0.61) CHRM3CHRM2CHRM1
SCHEMBL5976665 0.95 CHRM3 (0.61) CHRM3CHRM2CHRM1
Trifluoroacetic Acid SCHEMBL1234828 0.94 CHRM3 (0.57) CHRM3CHRM2CHRM1
Trifluoroacetic Acid SCHEMBL1235335 0.94 CHRM3 (0.57) CHRM3CHRM2CHRM1
SCHEMBL5978573 0.94 CHRM3 (0.60) CHRM3CHRM2CHRM1
SCHEMBL5979234 0.94 CHRM3 (0.60) CHRM3CHRM2CHRM1
Trifluoroacetic Acid SCHEMBL1234088 0.94 CHRM3 (0.56) 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