SCHEMBL4790485

SCHEMBL4790485

CCC(CCC1C2CN(CCc3ccc4c(c3)OCO4)CC12)(C(N)=O)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 4/20 0.43
ADRB2 P07550 1/20 0.43
CHRM2 P08172 1/20 0.43
CHRM4 P08173 1/20 0.43
ADRB1 P08588 1/20 0.43
CHRM5 P08912 1/20 0.43
ADRA2A P08913 1/20 0.43
CHRM1 P11229 1/20 0.43
DRD2 P14416 1/20 0.43
KCNE1 P15382 1/20 0.43
ADRA2B P18089 1/20 0.43
ADRA2C P18825 1/20 0.43
CHRM3 P20309 1/20 0.43
HRH2 P25021 1/20 0.43
HTR2A P28223 1/20 0.43
SLC6A4 P31645 1/20 0.43
OPRM1 P35372 1/20 0.43
OPRK1 P41145 1/20 0.43
HTR2B P41595 1/20 0.43
KCNQ1 P51787 1/20 0.43

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
SCHEMBL4789858 0.82 ADRA1A (0.47) ADRA1AADRB2CHRM2CHRM4ADRB1
SCHEMBL4790547 0.78 ALDH1A1 (0.42) ADRA1AADRA1DADRA1BALDH1A1TSHR
SCHEMBL4620549 0.75 ADRA1A (0.42) ADRA1AADRB2CHRM2CHRM4ADRB1
SCHEMBL4789694 0.75 CHRM3 (0.48) ADRA1AADRB2CHRM2CHRM4ADRB1
SCHEMBL4789432 0.75 ADRA1D (0.42) ADRA1AADRA1DADRA1BALDH1A1TSHR
SCHEMBL4789932 0.74 TRPM8 (0.39) SIRT2SIRT1ALDH1A1TSHRKMT2A
SCHEMBL9519069 0.73 CHRM5 (0.76) ADRA1AADRB2CHRM2CHRM4ADRB1
SCHEMBL9519064 0.73 CHRM5 (0.76) ADRA1AADRB2CHRM2CHRM4ADRB1
SCHEMBL4789381 0.73 ALDH1A1 (0.44) ADRA1AADRB2CHRM2CHRM4ADRB1
SCHEMBL4619971 0.71 CHRM3 (0.51) CHRM3TRPM8

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 1 patent. claimed = in the patent's claims; disclosed = body only.

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