SCHEMBL100128

SCHEMBL100128

CN1CCC(OC(=O)Nc2cc(CC(=O)O)ccc2-c2ccccc2)CC1

nearest known ligand 0.71

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 20/20 0.71

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
SCHEMBL99635 0.90 CHRM3 (0.68) CHRM3
Hydrochloric Acid SCHEMBL98660 0.89 CHRM3 (0.67) CHRM3
SCHEMBL98776 0.88 CHRM3 (0.66) CHRM3
SCHEMBL98415 0.87 CHRM3 (0.64) CHRM3
Hydrochloric Acid SCHEMBL99916 0.87 CHRM3 (0.64) CHRM3
SCHEMBL278959 0.83 CHRM3 (1.00) CHRM3
SCHEMBL98319 0.83 CHRM3 (0.61) CHRM3
Hydrochloric Acid SCHEMBL98523 0.83 CHRM3 (0.67) CHRM3
SCHEMBL662193 0.82 CHRM3 (0.60) CHRM3
SCHEMBL101264 0.82 CHRM3 (0.66) CHRM3

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-2426121-A1 QUATERNARY AMMONIUM SALT COMPOUND Teijin Pharma Limited (JP) 2012-03-07 EP disclosed