SCHEMBL11904771

SCHEMBL11904771

COc1cc2[nH]c(=O)n(C3CCN(C4CCOC(=O)C4)CC3)c2cc1C

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 12/20 0.57
CHRM2 P08172 7/20 0.57
CHRM4 P08173 7/20 0.57
CHRM3 P20309 6/20 0.57
CHRM5 P08912 5/20 0.57
KCNH2 Q12809 2/20 0.57
HSD11B1 P28845 5/20 0.44
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
DRD2 P14416 1/20 0.39
ADRA1D P25100 1/20 0.39
HTR2C P28335 1/20 0.39
ADRA1A P35348 1/20 0.39
ADRA1B P35368 1/20 0.39

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
SCHEMBL11904473 0.90 CHRM1 (0.63) CHRM1CHRM2CHRM4CHRM3CHRM5
SCHEMBL11904633 0.89 CHRM1 (0.54) CHRM1CHRM2CHRM4CHRM3CHRM5
SCHEMBL4906414 0.88 CHRM1 (0.73) CHRM1CHRM2CHRM4CHRM3CHRM5
SCHEMBL11904684 0.87 CHRM1 (0.48) CHRM1CHRM2CHRM4CHRM3CHRM5
Hydrochloric Acid SCHEMBL4686256 0.87 CHRM1 (0.72) CHRM1CHRM2CHRM4CHRM3CHRM5
SCHEMBL11904620 0.86 CHRM1 (0.77) CHRM1CHRM2CHRM4CHRM3CHRM5
SCHEMBL11904820 0.86 CHRM1 (0.59) CHRM1CHRM2CHRM4CHRM3CHRM5
SCHEMBL11904522 0.86 CHRM1 (0.59) CHRM1CHRM2CHRM4CHRM3CHRM5
SCHEMBL11904793 0.84 CHRM1 (0.56) CHRM1CHRM2CHRM4CHRM3CHRM5
SCHEMBL11904800 0.83 CHRM1 (0.58) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1960389-B1 COMPOUNDS WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE GLAXO GROUP LTD (GB) 2012-08-15 EP claimed