SCHEMBL2230491

SCHEMBL2230491

CC(C)COC(=O)N1CCC(n2c(=O)oc3ccc(C#N)cc32)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 7/20 0.54
CHRM5 P08912 7/20 0.54
CHRM1 P11229 7/20 0.54
CHRM3 P20309 7/20 0.54
CHRM2 P08172 6/20 0.54
KMT2A Q03164 1/20 0.43
KMO O15229 1/20 0.42
HSD11B1 P28845 1/20 0.41
CDY1; CDY1B Q9Y6F8 2/20 0.40
CBX7 O95931 2/20 0.40
CDYL2 Q8N8U2 2/20 0.40
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
GPR119 Q8TDV5 2/20 0.38
SCN1A P35498 1/20 0.38
SCN5A Q14524 1/20 0.38
SCN9A Q15858 1/20 0.38
CDYL Q9Y232 1/20 0.37
PLD1 Q13393 1/20 0.37

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
SCHEMBL2223654 0.83 CHRM2 (0.54) CHRM4CHRM5CHRM1CHRM3CHRM2
SCHEMBL3653203 0.79 CHRM2 (0.53) CHRM4CHRM5CHRM1CHRM3CHRM2
SCHEMBL3242329 0.75 GPR119 (0.41) CHRM1CHRM2GPR119
SCHEMBL8058738 0.74 CHRM2 (0.56) CHRM4CHRM5CHRM1CHRM3CHRM2
SCHEMBL12439335 0.74 CHRM4 (0.59) CHRM4CHRM5CHRM1CHRM3CHRM2
SCHEMBL2220699 0.74 CHRM4 (0.59) CHRM4CHRM5CHRM1CHRM3CHRM2
SCHEMBL2218014 0.74 CHRM4 (0.59) CHRM4CHRM5CHRM1CHRM3CHRM2
SCHEMBL2218018 0.74 CHRM4 (0.59) CHRM4CHRM5CHRM1CHRM3CHRM2
SCHEMBL8067487 0.73 CHRM2 (0.55) CHRM4CHRM5CHRM1CHRM3CHRM2
Hydrochloric Acid SCHEMBL2217251 0.73 CHRM4 (0.58) CHRM4CHRM5CHRM1CHRM3CHRM2

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 6 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 disclosed
EP-2194982-A1 COMPOUNDS WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE Glaxo Group Limited (GB) 2010-06-16 EP disclosed
EP-2194983-A1 COMPOUNDS WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE Glaxo Group Limited (GB) 2010-06-16 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
WO-2009037296-A1 COMPOUNDS WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE GLAXO GROUP LIMITED (GB) 2009-03-26 WO disclosed
WO-2009037294-A1 COMPOUNDS WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE GLAXO GROUP LIMITED (GB) 2009-03-26 WO disclosed