SCHEMBL4636864

SCHEMBL4636864

CC1(C(=O)O[C@H]2C[N+]3(CCO)CCC2CC3)c2ccccc2-c2ccccc21

nearest known ligand 0.77

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 20/20 0.77
CHRM2 P08172 13/20 0.77
CHRM1 P11229 13/20 0.77

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
Bromide SCHEMBL4636930 0.99 CHRM3 (0.78) CHRM3CHRM2CHRM1
SCHEMBL4636660 0.87 CHRM3 (0.80) CHRM3CHRM2CHRM1
Bromide SCHEMBL4636846 0.86 CHRM3 (0.80) CHRM3CHRM2CHRM1
SCHEMBL4636736 0.86 CHRM3 (0.75) CHRM3CHRM2CHRM1
Bromide SCHEMBL4636590 0.85 CHRM3 (0.74) CHRM3CHRM2CHRM1
SCHEMBL2076820 0.81 CHRM3 (0.73) CHRM3CHRM2CHRM1
SCHEMBL71451 0.81 CHRM3 (0.73) CHRM3CHRM2CHRM1
SCHEMBL4637869 0.78 CHRM3 (0.81) CHRM3CHRM2CHRM1
SCHEMBL4637214 0.78 CHRM3 (0.98) CHRM3CHRM2CHRM1
SCHEMBL4636556 0.78 CHRM3 (0.71) 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-1725552-B1 NEW QUATERNIZED QUINUCLIDINE ESTERS ALMIRALL LAB (ES) 2008-06-25 EP claimed