SCHEMBL4647610

SCHEMBL4647610

Cc1cc2c(cc1F)[nH]c(=O)n2C1CCN(C2(C)CCOCC2)CC1.Cc1cc2c(cc1OC(C)C)[nH]c(=O)n2C1CCN(C2CCOCC2)CC1

nearest known ligand 0.68

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 11/20 0.68
CHRM2 P08172 6/20 0.68
CHRM4 P08173 6/20 0.68
CHRM5 P08912 5/20 0.68
CHRM3 P20309 5/20 0.68
KCNH2 Q12809 2/20 0.68
OPRM1 P35372 8/20 0.37
OPRL1 P41146 4/20 0.37
HSD11B1 P28845 1/20 0.34
DRD2 P14416 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
SCHEMBL4905252 0.87 CHRM1 (0.69) CHRM1CHRM2CHRM4CHRM5CHRM3
Hydrochloric Acid SCHEMBL4648096 0.86 CHRM1 (0.68) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL4906039 0.86 CHRM1 (0.70) CHRM1CHRM2CHRM4CHRM5CHRM3
Hydrochloric Acid SCHEMBL4648675 0.85 CHRM1 (0.69) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL4648535 0.82 CHRM1 (1.00) CHRM1CHRM2CHRM4CHRM5CHRM3
Hydrochloric Acid SCHEMBL4647616 0.81 CHRM1 (0.98) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL13254709 0.81 CHRM1 (0.96) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL4649085 0.79 CHRM2 (0.58) CHRM1CHRM2CHRM4CHRM5CHRM3
Hydrochloric Acid SCHEMBL4648258 0.78 CHRM2 (0.57) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL11904884 0.77 CHRM1 (0.63) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1960389-A2 COMPOUNDS WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE GLAXO GROUP LIMITED (GB) 2008-08-27 EP claimed
WO-2007036718-A2 COMPOUNDS WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE GLAXO GROUP LIMITED (GB) 2007-04-05 WO claimed
EP-1960389-A2 COMPOUNDS WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE GLAXO GROUP LIMITED (GB) 2008-08-27 EP disclosed
WO-2007036718-A2 COMPOUNDS WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE GLAXO GROUP LIMITED (GB) 2007-04-05 WO disclosed