SCHEMBL4636592

SCHEMBL4636592

C=CC[N+]12CCC(CC1)[C@@H](OC(=O)C1(O)c3ccccc3Oc3ccccc31)C2

nearest known ligand 0.71

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 20/20 0.71
CHRM2 P08172 14/20 0.71
CHRM1 P11229 14/20 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
Bromide SCHEMBL4636328 0.99 CHRM3 (0.71) CHRM3CHRM2CHRM1
SCHEMBL4636386 0.89 CHRM3 (0.69) CHRM3CHRM2CHRM1
SCHEMBL4636951 0.89 CHRM3 (0.74) CHRM3CHRM2CHRM1
Bromide SCHEMBL4636618 0.88 CHRM3 (0.69) CHRM3CHRM2CHRM1
Bromide SCHEMBL4636504 0.88 CHRM3 (0.73) CHRM3CHRM2CHRM1
SCHEMBL4637869 0.86 CHRM3 (0.81) CHRM3CHRM2CHRM1
SCHEMBL73296 0.86 CHRM3 (0.81) CHRM3CHRM2CHRM1
SCHEMBL73295 0.86 CHRM3 (0.81) CHRM3CHRM2CHRM1
Bromide SCHEMBL4637147 0.85 CHRM3 (0.81) CHRM3CHRM2CHRM1
SCHEMBL4636446 0.84 CHRM3 (0.80) 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