SCHEMBL2825558

SCHEMBL2825558

C[N+]12CCC(CC1)C(NC(=O)C(O)(c1cccs1)c1cccs1)C2

nearest known ligand 0.63

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 19/20 0.63
CHRM2 P08172 15/20 0.63
CHRM1 P11229 15/20 0.63
RGS12 O14924 1/20 0.52

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
SCHEMBL2819754 1.00 CHRM3 (0.63) CHRM3CHRM2CHRM1RGS12
Bromide SCHEMBL2822233 0.99 CHRM3 (0.64) CHRM3CHRM2CHRM1RGS12
Trifluoroacetic Acid SCHEMBL2823069 0.93 CHRM3 (0.56) CHRM3CHRM2CHRM1RGS12
Bromide SCHEMBL6204880 0.83 CHRM3 (0.90) CHRM3CHRM2CHRM1
SCHEMBL2821074 0.81 CHRM3 (0.77) CHRM3CHRM2CHRM1RGS12
SCHEMBL2823252 0.80 CHRM3 (0.68) CHRM3CHRM2CHRM1
SCHEMBL2823707 0.78 CHRM3 (1.00) CHRM3CHRM2CHRM1
Bromide SCHEMBL2823063 0.77 CHRM3 (1.00) CHRM3CHRM2CHRM1
SCHEMBL2821963 0.77 CHRM3 (1.00) CHRM3CHRM2CHRM1
SCHEMBL2820188 0.76 CHRM3 (1.00) 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-1519933-B1 QUINUCLIDINE AMIDE DERIVATIVES ALMIRALL SA (ES) 2010-05-12 EP claimed