SCHEMBL4811274

SCHEMBL4811274

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

nearest known ligand 0.85

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 15/20 0.85
CHRM5 P08912 15/20 0.85
CHRM1 P11229 15/20 0.85
CHRM3 P20309 14/20 0.85
CHRM2 P08172 13/20 0.85
KCNH2 Q12809 1/20 0.51
OPRM1 P35372 3/20 0.39
HSD11B1 P28845 1/20 0.38
CTSS P25774 1/20 0.38
OPRL1 P41146 1/20 0.37

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
SCHEMBL14042965 1.00 CHRM4 (0.85) CHRM4CHRM5CHRM1CHRM3CHRM2
SCHEMBL4811291 1.00 CHRM4 (0.85) CHRM4CHRM5CHRM1CHRM3CHRM2
Hydrochloric Acid SCHEMBL4789015 0.99 CHRM4 (0.84) CHRM4CHRM5CHRM1CHRM3CHRM2
Hydrochloric Acid SCHEMBL4815709 0.99 CHRM4 (0.84) CHRM4CHRM5CHRM1CHRM3CHRM2
Hydrochloric Acid SCHEMBL4789013 0.99 CHRM4 (0.84) CHRM4CHRM5CHRM1CHRM3CHRM2
SCHEMBL14944089 0.92 CHRM4 (1.00) CHRM4CHRM5CHRM1CHRM3CHRM2
SCHEMBL603268 0.92 CHRM4 (1.00) CHRM4CHRM5CHRM1CHRM3CHRM2
SCHEMBL603267 0.92 CHRM4 (1.00) CHRM4CHRM5CHRM1CHRM3CHRM2
SCHEMBL10190419 0.92 CHRM4 (1.00) CHRM4CHRM5CHRM1CHRM3CHRM2
SCHEMBL602485 0.92 CHRM1 (0.86) CHRM4CHRM5CHRM1CHRM3CHRM2

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