SCHEMBL5133252

SCHEMBL5133252

Cc1n(CCNC(=O)C(O)(c2ccccc2)C2CCCC2)cc[n+]1C

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 9/20 0.46
CHRM2 P08172 8/20 0.46
CHRM1 P11229 8/20 0.46
KEAP1 Q14145 1/20 0.44
NFE2L2 Q16236 1/20 0.44

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
Iodide SCHEMBL3046849 0.99 CHRM3 (0.46) CHRM3CHRM2CHRM1KEAP1NFE2L2
Iodide SCHEMBL3038138 0.93 CHRM3 (0.44) CHRM3CHRM2CHRM1KEAP1NFE2L2
SCHEMBL5133743 0.93 CHRM3 (0.44) CHRM3CHRM2CHRM1KEAP1NFE2L2
Iodide SCHEMBL3044182 0.92 CHRM3 (0.44) CHRM3CHRM2CHRM1
Iodide SCHEMBL3043395 0.85 CHRM3 (0.42) CHRM3CHRM2CHRM1KEAP1NFE2L2
SCHEMBL5209257 0.81 POLB (0.57) CHRM3CHRM2CHRM1KEAP1NFE2L2
SCHEMBL5134235 0.81 POLB (0.57) CHRM3CHRM2CHRM1KEAP1NFE2L2
SCHEMBL3043382 0.80 CHRM2 (0.49) CHRM3CHRM2CHRM1
SCHEMBL3049246 0.80 CHRM2 (0.49) CHRM3CHRM2CHRM1
Iodide SCHEMBL3049800 0.80 ALDH1A1 (0.45) CHRM3CHRM2CHRM1KEAP1NFE2L2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1968945-A2 MUSCARINIC RECEPTOR ANTAGONISTS Ranbaxy Laboratories Limited (IN) 2008-09-17 EP claimed
WO-2007077510-A2 MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2007-07-12 WO claimed