SCHEMBL436185

SCHEMBL436185

CCc1c(CC[N+](C)(C)C)cccc1OC(N)=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 5/20 0.43
CHRM1 P11229 5/20 0.43
CHRM3 P20309 5/20 0.43
ACHE P22303 1/20 0.36
CHRM4 P08173 2/20 0.33
CHRM5 P08912 2/20 0.33
PPARA Q07869 2/20 0.33
LMNA P02545 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
PPARG P37231 1/20 0.33
HTR1A P08908 1/20 0.33
TSHR P16473 1/20 0.33
CHRNB2 P17787 1/20 0.33
CYP2C19 P33261 1/20 0.33
CHRNA7 P36544 1/20 0.33
CHRNA4 P43681 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
MAPT P10636 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL1840665 0.85 MEN1 (0.41) PPARAMEN1KMT2APPARGL3MBTL1
SCHEMBL30945831 0.85 MEN1 (0.41) PPARAMEN1KMT2APPARGL3MBTL1
SCHEMBL1838085 0.78 LTB4R (0.46) PPARAMEN1KMT2APPARGLTB4R
SCHEMBL1838656 0.75 PPARA (0.47) CHRM2PPARALMNAMEN1KMT2A
SCHEMBL30945819 0.75 PPARA (0.47) CHRM2PPARALMNAMEN1KMT2A
SCHEMBL1839083 0.74 PPARA (0.52) CHRM2PPARALMNAMEN1KMT2A
SCHEMBL1835772 0.73 L3MBTL1 (0.47) MEN1KMT2ATSHRL3MBTL1MAPT
SCHEMBL30185875 0.73 L3MBTL1 (0.47) MEN1KMT2ATSHRL3MBTL1MAPT
SCHEMBL1951559 0.73 PPARA (0.54) CHRM2PPARALMNAMEN1KMT2A
SCHEMBL1953805 0.73 PPARA (0.54) CHRM2PPARALMNAMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2596071-A1 TRANSDERMAL ADHESIVE COMPOSITIONS, DEVICES, AND METHODS 3M Innovative Properties Company (US) 2013-05-29 EP claimed
WO-2012012417-A1 TRANSDERMAL ADHESIVE COMPOSITIONS, DEVICES, AND METHODS 3M INNOVATIVE PROPERTIES COMPANY (US) 2012-01-26 WO claimed
WO-2009022346-A2 PHENYL CARBAMATES FOR TREATING GASTROINTESTINAL INFLAMMATION YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM (IL) 2009-02-19 WO disclosed
WO-2009022345-A1 PHENYL CARBAMATES FOR THE TREATMENT OF MULTIPLE SCLEROSIS YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM (IL) 2009-02-19 WO disclosed