SCHEMBL2823252

SCHEMBL2823252

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

nearest known ligand 0.68

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 19/20 0.68
CHRM2 P08172 14/20 0.68
CHRM1 P11229 14/20 0.68

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
Trifluoroacetic Acid SCHEMBL2819774 0.93 CHRM3 (0.61) CHRM3CHRM2CHRM1
SCHEMBL2822339 0.85 CHRM3 (0.67) CHRM3CHRM2CHRM1
SCHEMBL2822340 0.85 CHRM3 (0.67) CHRM3CHRM2CHRM1
SCHEMBL2821074 0.82 CHRM3 (0.77) CHRM3CHRM2CHRM1
SCHEMBL2823707 0.81 CHRM3 (1.00) CHRM3CHRM2CHRM1
SCHEMBL2819754 0.80 CHRM3 (0.63) CHRM3CHRM2CHRM1
SCHEMBL2825558 0.80 CHRM3 (0.63) CHRM3CHRM2CHRM1
Trifluoroacetic Acid SCHEMBL2822237 0.80 CHRM3 (0.60) CHRM3CHRM2CHRM1
Trifluoroacetic Acid SCHEMBL2822239 0.80 CHRM3 (0.60) CHRM3CHRM2CHRM1
Bromide SCHEMBL2823063 0.80 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