SCHEMBL4789694

SCHEMBL4789694

NC(=O)C(CC1C2CCC1CN(CCc1ccc3c(c1)OCO3)C2)(c1ccccc1)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 3/20 0.48
CHRM5 P08912 2/20 0.48
CHRM1 P11229 2/20 0.48
ADRA1A P35348 2/20 0.48
ADRB2 P07550 1/20 0.48
CHRM2 P08172 1/20 0.48
CHRM4 P08173 1/20 0.48
ADRB1 P08588 1/20 0.48
ADRA2A P08913 1/20 0.48
DRD2 P14416 1/20 0.48
KCNE1 P15382 1/20 0.48
ADRA2B P18089 1/20 0.48
ADRA2C P18825 1/20 0.48
HRH2 P25021 1/20 0.48
HTR2A P28223 1/20 0.48
SLC6A4 P31645 1/20 0.48
OPRM1 P35372 1/20 0.48
OPRK1 P41145 1/20 0.48
HTR2B P41595 1/20 0.48
KCNQ1 P51787 1/20 0.48

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
SCHEMBL4790247 0.90 SIGMAR1 (0.48) SIRT2SIRT1MEN1KMT2ATSHR
SCHEMBL4789858 0.90 ADRA1A (0.47) CHRM3CHRM5CHRM1ADRA1AADRB2
SCHEMBL4789955 0.82 TSHR (0.42) CHRM3CHRM5CHRM1ADRA1AADRB2
SCHEMBL4788488 0.78 CHRM3 (0.40) CHRM3CHRM5CHRM1ADRA1AADRB2
SCHEMBL4789529 0.78 ADRA1A (0.41) CHRM3CHRM5CHRM1ADRA1AADRB2
SCHEMBL9519064 0.78 CHRM5 (0.76) CHRM3CHRM5CHRM1ADRA1AADRB2
SCHEMBL9519069 0.78 CHRM5 (0.76) CHRM3CHRM5CHRM1ADRA1AADRB2
SCHEMBL4758040 0.77 CHRM5 (0.64) CHRM3CHRM5CHRM1ADRA1AADRB2
SCHEMBL4757520 0.76 CHRM3 (0.48) CHRM3CHRM2
SCHEMBL4127931 0.76 ADRA1A (0.42) CHRM3CHRM5CHRM1ADRA1AADRB2

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-2008117229-A1 MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2008-10-02 WO claimed
WO-2008117229-A1 MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2008-10-02 WO disclosed