SCHEMBL4647630

SCHEMBL4647630

COc1cc2[nH]c(=O)n(C3CCN(C4CCOCC4)CC3)c2cc1C.O=C1N=c2ccccc2=N1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 14/20 0.60
CHRM2 P08172 6/20 0.60
CHRM4 P08173 6/20 0.60
CHRM3 P20309 5/20 0.60
CHRM5 P08912 4/20 0.60
KCNH2 Q12809 2/20 0.60
HSD11B1 P28845 3/20 0.46
DRD2 P14416 1/20 0.43
ADRA1D P25100 1/20 0.43
HTR2C P28335 1/20 0.43
ADRA1A P35348 1/20 0.43
ADRA1B P35368 1/20 0.43
OPRM1 P35372 2/20 0.40
OPRD1 P41143 1/20 0.40
OPRK1 P41145 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
HTT P42858 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL4906414 0.90 CHRM1 (0.73) CHRM1CHRM2CHRM4CHRM3CHRM5
Hydrochloric Acid SCHEMBL4686256 0.89 CHRM1 (0.72) CHRM1CHRM2CHRM4CHRM3CHRM5
SCHEMBL4646634 0.80 CHRM1 (0.83) CHRM1CHRM2CHRM4CHRM3CHRM5
SCHEMBL4905252 0.80 CHRM1 (0.69) CHRM1CHRM2CHRM4CHRM3CHRM5
Hydrochloric Acid SCHEMBL4648096 0.79 CHRM1 (0.68) CHRM1CHRM2CHRM4CHRM3CHRM5
SCHEMBL11904771 0.79 CHRM1 (0.57) CHRM1CHRM2CHRM4CHRM3CHRM5
Hydrochloric Acid SCHEMBL4647374 0.79 CHRM1 (0.60) CHRM1CHRM2CHRM4CHRM3CHRM5
Hydrochloric Acid SCHEMBL4647985 0.79 CHRM1 (0.81) CHRM1CHRM2CHRM4CHRM3CHRM5
SCHEMBL4649398 0.77 CHRM1 (0.62) CHRM1CHRM2CHRM4CHRM3CHRM5
Hydrochloric Acid SCHEMBL4647364 0.77 CHRM1 (0.61) CHRM1CHRM2CHRM4CHRM3CHRM5

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
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