SCHEMBL2229097

SCHEMBL2229097

COCC1CCC(N2CCC(n3c(=O)oc4ccccc43)CC2)CC1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 1/20 0.51
CHRM5 P08912 1/20 0.51
CHRM1 P11229 1/20 0.51
HSD11B1 P28845 1/20 0.48
TNKS O95271 1/20 0.46
ADRA1D P25100 5/20 0.45
ADRA1A P35348 5/20 0.45
ADRA1B P35368 5/20 0.45
CBX7 O95931 3/20 0.45
CDYL2 Q8N8U2 3/20 0.45
CDYL Q9Y232 3/20 0.45
HTR2A P28223 1/20 0.45
HTR7 P34969 1/20 0.45
CDY1; CDY1B Q9Y6F8 2/20 0.44
PLD1 Q13393 1/20 0.44
SCN1A P35498 1/20 0.42
SCN5A Q14524 1/20 0.42
SCN9A Q15858 1/20 0.42

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
SCHEMBL1865241 0.85 OPRL1 (0.52) CHRM4CHRM5CHRM1HSD11B1TNKS
SCHEMBL12439335 0.83 CHRM4 (0.59) CHRM4CHRM5CHRM1HSD11B1ADRA1D
SCHEMBL2220699 0.83 CHRM4 (0.59) CHRM4CHRM5CHRM1HSD11B1ADRA1D
SCHEMBL2218018 0.83 CHRM4 (0.59) CHRM4CHRM5CHRM1HSD11B1ADRA1D
SCHEMBL2218014 0.83 CHRM4 (0.59) CHRM4CHRM5CHRM1HSD11B1ADRA1D
Hydrochloric Acid SCHEMBL2217251 0.82 CHRM4 (0.58) CHRM4CHRM5CHRM1HSD11B1ADRA1D
Hydrochloric Acid SCHEMBL2220554 0.82 CHRM4 (0.58) CHRM4CHRM5CHRM1HSD11B1ADRA1D
Hydrochloric Acid SCHEMBL2217254 0.82 CHRM4 (0.58) CHRM4CHRM5CHRM1HSD11B1ADRA1D
SCHEMBL1862937 0.80 CHRM4 (0.56) CHRM4CHRM5CHRM1ADRA1DADRA1A
SCHEMBL1863949 0.80 OPRM1 (0.60) CHRM4CHRM5CHRM1TNKSPLD1

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-2344483-A1 COMPOUNDS WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE Glaxo Group Limited (GB) 2011-07-20 EP claimed
WO-2010037723-A1 COMPOUNDS WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE GLAXO GROUP LIMITED (GB) 2010-04-08 WO claimed
EP-2344483-A1 COMPOUNDS WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE Glaxo Group Limited (GB) 2011-07-20 EP disclosed
WO-2010037723-A1 COMPOUNDS WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE GLAXO GROUP LIMITED (GB) 2010-04-08 WO disclosed