SCHEMBL4646443

SCHEMBL4646443

CC(C)COC(=O)N1CCC(n2c(=O)[nH]c3cc(C(F)(F)F)c(Cl)cc32)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 10/20 0.48
OPRD1 P41143 2/20 0.48
OPRK1 P41145 2/20 0.48
CHRM1 P11229 4/20 0.46
CHRM2 P08172 1/20 0.46
CHRM4 P08173 1/20 0.46
CHRM5 P08912 1/20 0.46
CHRM3 P20309 1/20 0.46
HTR1A P08908 1/20 0.46
ADORA3 P0DMS8 1/20 0.46
TACR2 P21452 1/20 0.46
DRD1 P21728 1/20 0.46
DRD5 P21918 1/20 0.46
SLC6A2 P23975 1/20 0.46
ADRA1D P25100 1/20 0.46
HTR1B P28222 1/20 0.46
TSPO P30536 1/20 0.46
ADORA1 P30542 1/20 0.46
ADRA1A P35348 1/20 0.46
ADRA1B P35368 1/20 0.46

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
SCHEMBL4648973 0.90 CHRM1 (0.49) OPRM1OPRD1OPRK1CHRM1CHRM2
SCHEMBL4649387 0.89 CHRM1 (0.46) OPRM1OPRD1OPRK1CHRM1CHRM2
SCHEMBL4648437 0.88 OPRM1 (0.50) OPRM1OPRD1OPRK1CHRM1CHRM2
SCHEMBL4682870 0.86 CHRM1 (0.49) OPRM1OPRD1OPRK1CHRM1CHRM2
SCHEMBL4747240 0.85 OPRM1 (0.53) OPRM1OPRD1OPRK1CHRM1CHRM2
SCHEMBL4649067 0.83 OPRM1 (0.49) OPRM1OPRD1OPRK1CHRM1CHRM2
SCHEMBL4647792 0.83 OPRM1 (0.49) OPRM1OPRD1OPRK1CHRM1CHRM2
SCHEMBL4687240 0.82 CHRM1 (0.49) OPRM1OPRD1OPRK1CHRM1CHRM2
SCHEMBL4648241 0.81 CHRM2 (0.56) OPRM1OPRD1OPRK1CHRM1CHRM2
SCHEMBL4659645 0.80 OPRM1 (0.56) OPRM1OPRD1OPRK1CHRM1CHRM2

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