SCHEMBL4811227

SCHEMBL4811227

COCCO[C@H]1CC[C@H](N2CCC(n3c(=O)[nH]c4cc(F)c(C)cc43)CC2)CC1

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 17/20 0.67
CHRM2 P08172 7/20 0.67
CHRM4 P08173 7/20 0.67
CHRM3 P20309 7/20 0.67
CHRM5 P08912 6/20 0.67
KCNH2 Q12809 2/20 0.67
DRD2 P14416 3/20 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 0.42
HSD11B1 P28845 1/20 0.41
OPRL1 P41146 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
SCHEMBL14042818 1.00 CHRM1 (0.67) CHRM1CHRM2CHRM4CHRM3CHRM5
SCHEMBL4811240 1.00 CHRM1 (0.67) CHRM1CHRM2CHRM4CHRM3CHRM5
Hydrochloric Acid SCHEMBL4788813 0.99 CHRM1 (0.66) CHRM1CHRM2CHRM4CHRM3CHRM5
Hydrochloric Acid SCHEMBL4814480 0.99 CHRM1 (0.66) CHRM1CHRM2CHRM4CHRM3CHRM5
Hydrochloric Acid SCHEMBL4788805 0.99 CHRM1 (0.66) CHRM1CHRM2CHRM4CHRM3CHRM5
SCHEMBL600432 0.91 CHRM1 (0.73) CHRM1CHRM2CHRM4CHRM3CHRM5
SCHEMBL601395 0.91 CHRM1 (0.73) CHRM1CHRM2CHRM4CHRM3CHRM5
SCHEMBL600431 0.91 CHRM1 (0.73) CHRM1CHRM2CHRM4CHRM3CHRM5
Hydrochloric Acid SCHEMBL602470 0.90 CHRM1 (0.72) CHRM1CHRM2CHRM4CHRM3CHRM5
Hydrochloric Acid SCHEMBL602328 0.90 CHRM1 (0.72) 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
WO-2008119721-A1 COMPOUNDS WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE GLAXO GROUP LIMITED (GB) 2008-10-09 WO claimed
WO-2008119721-A1 COMPOUNDS WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE GLAXO GROUP LIMITED (GB) 2008-10-09 WO disclosed