SCHEMBL100314

SCHEMBL100314

CCN1CCC(OC(=O)Nc2cc(/C=C/COc3ccc(CCNC(=O)OC(C)(C)C)cc3)ccc2-c2ccccc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 20/20 0.51

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
SCHEMBL100315 1.00 CHRM3 (0.51) CHRM3
SCHEMBL98252 0.93 CHRM3 (0.48) CHRM3
SCHEMBL98253 0.93 CHRM3 (0.48) CHRM3
SCHEMBL15823262 0.85 NDUFS8 (0.41)
SCHEMBL15823264 0.85 NDUFS8 (0.41)
SCHEMBL15824492 0.82 NAMPT (0.36) CHRM3
SCHEMBL15824490 0.82 NAMPT (0.36) CHRM3
SCHEMBL15824493 0.82 NAMPT (0.36) CHRM3
SCHEMBL100473 0.80 CHRM3 (0.51) CHRM3
SCHEMBL661495 0.79 NDUFS8 (0.44)

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