SCHEMBL4749236

SCHEMBL4749236

COCCOC1CCC(C#N)(N2CCC(n3c(=O)[nH]c4cc(F)c(C)cc43)CC2)CC1

nearest known ligand 0.66

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 9/20 0.66
CHRM2 P08172 7/20 0.66
CHRM4 P08173 7/20 0.66
CHRM5 P08912 7/20 0.66
CHRM3 P20309 7/20 0.66
KCNH2 Q12809 1/20 0.49
OPRM1 P35372 6/20 0.38
HSD11B1 P28845 2/20 0.37
OPRL1 P41146 2/20 0.36
CTSS P25774 1/20 0.35
TNKS O95271 1/20 0.34
CYP3A4 P08684 1/20 0.34
TNKS2 Q9H2K2 1/20 0.34
PARP2 Q9UGN5 1/20 0.34
OPRK1 P41145 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
SCHEMBL4749545 0.92 CHRM1 (0.67) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL4808665 0.88 CHRM4 (0.85) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL4808676 0.88 CHRM4 (0.85) CHRM1CHRM2CHRM4CHRM5CHRM3
Hydrochloric Acid SCHEMBL4813747 0.87 CHRM4 (0.83) CHRM1CHRM2CHRM4CHRM5CHRM3
Hydrochloric Acid SCHEMBL4813731 0.87 CHRM4 (0.83) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL4749749 0.85 CHRM1 (0.47) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL4648728 0.83 CHRM1 (0.66) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL4811240 0.82 CHRM1 (0.67) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL4811227 0.82 CHRM1 (0.67) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL14042818 0.82 CHRM1 (0.67) 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 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