SCHEMBL5262791

SCHEMBL5262791

COC(C(N)=O)(c1ccccc1)C1CCCC1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.50
NFE2L2 Q16236 1/20 0.50
MAPT P10636 1/20 0.44
KMT2A Q03164 1/20 0.44
KCNN4 O15554 1/20 0.43
CHRM3 P20309 10/20 0.43
ALDH1A1 P00352 2/20 0.43
CHRM2 P08172 5/20 0.43
CHRM1 P11229 4/20 0.43
KCNH2 Q12809 2/20 0.42
SLC6A3 Q01959 1/20 0.42
KIF11 P52732 1/20 0.42
CHRM4 P08173 1/20 0.41
CHRM5 P08912 1/20 0.41
HRH1 P35367 1/20 0.41
HTR2B P41595 1/20 0.41
CYP1A2 P05177 1/20 0.41
POLB P06746 1/20 0.41

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
SCHEMBL3913639 0.87 KEAP1 (0.57) KEAP1NFE2L2KCNN4CHRM3ALDH1A1
SCHEMBL2062827 0.87 KEAP1 (0.57) KEAP1NFE2L2KCNN4CHRM3ALDH1A1
SCHEMBL2763726 0.85 KEAP1 (0.56) KEAP1NFE2L2KCNN4CHRM3ALDH1A1
SCHEMBL6453670 0.83 POLB (0.44) KEAP1NFE2L2CHRM3ALDH1A1CHRM2
SCHEMBL28802479 0.81 KEAP1 (0.44) KEAP1NFE2L2MAPTKMT2ACHRM3
SCHEMBL5668052 0.79 CHRM2 (0.50) KEAP1NFE2L2MAPTKMT2AKCNN4
SCHEMBL3912116 0.79 CHRM2 (0.50) KEAP1NFE2L2MAPTKMT2AKCNN4
SCHEMBL1471859 0.77 KCNN4 (0.51) KEAP1NFE2L2KCNN4CHRM3ALDH1A1
SCHEMBL26134188 0.77 CHRM3 (0.55) KEAP1NFE2L2MAPTKMT2ACHRM3
SCHEMBL29116795 0.76 KEAP1 (0.56) KEAP1NFE2L2MAPTKMT2ACHRM3

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-1796667-A2 MUSCARINIC RECEPTOR ANTAGONISTS Ranbaxy Laboratories Limited (IN) 2007-06-20 EP disclosed
WO-2006035282-A2 MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2006-04-06 WO disclosed