SCHEMBL4749545

SCHEMBL4749545

CCOCCOC1CCC(C#N)(N2CCC(n3c(=O)[nH]c4cc(F)c(C)cc43)CC2)CC1

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 10/20 0.67
CHRM2 P08172 8/20 0.67
CHRM4 P08173 8/20 0.67
CHRM5 P08912 8/20 0.67
CHRM3 P20309 8/20 0.67
KCNH2 Q12809 1/20 0.48
OPRM1 P35372 4/20 0.37
CTSS P25774 1/20 0.36
HSD11B1 P28845 1/20 0.36
OPRL1 P41146 1/20 0.36
PGR P06401 2/20 0.34
HTR1A P08908 1/20 0.34
ADRA2A P08913 1/20 0.34
DRD2 P14416 1/20 0.34
HTR2A P28223 1/20 0.34
SLC6A4 P31645 1/20 0.34
DRD3 P35462 1/20 0.34

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
SCHEMBL4749236 0.92 CHRM1 (0.66) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL4811291 0.88 CHRM4 (0.85) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL14042965 0.88 CHRM4 (0.85) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL4811274 0.88 CHRM4 (0.85) CHRM1CHRM2CHRM4CHRM5CHRM3
Hydrochloric Acid SCHEMBL4815709 0.87 CHRM4 (0.84) CHRM1CHRM2CHRM4CHRM5CHRM3
Hydrochloric Acid SCHEMBL4789015 0.87 CHRM4 (0.84) CHRM1CHRM2CHRM4CHRM5CHRM3
Hydrochloric Acid SCHEMBL4789013 0.87 CHRM4 (0.84) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL4648728 0.82 CHRM1 (0.66) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL14944089 0.80 CHRM4 (1.00) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL603268 0.80 CHRM4 (1.00) CHRM1CHRM2CHRM4CHRM5CHRM3

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
WO-2008119721-A1 COMPOUNDS WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE GLAXO GROUP LIMITED (GB) 2008-10-09 WO disclosed
WO-2008119721-A1 COMPOUNDS WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE GLAXO GROUP LIMITED (GB) 2008-10-09 WO disclosed