SCHEMBL7465752

SCHEMBL7465752

O=C(O)OC1CCN(CCCN2c3ccccc3OCOc3ccccc32)CC1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 14/20 0.51
DRD2 P14416 6/20 0.51
KCNH2 Q12809 5/20 0.51
HTR2A P28223 2/20 0.51
MCHR1 Q99705 2/20 0.51
CHRM2 P08172 1/20 0.51
CHRM4 P08173 1/20 0.51
CHRM5 P08912 1/20 0.51
CHRM3 P20309 1/20 0.51
ADRA1A P35348 1/20 0.51
HRH1 P35367 1/20 0.51
ADRA1B P35368 1/20 0.51
PPARG P37231 1/20 0.43
PPARA Q07869 1/20 0.43
CYP2J2 P51589 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
SCHEMBL7464940 0.85 CHRM1 (0.55) CHRM1DRD2KCNH2HTR2AMCHR1
Hydrochloric Acid SCHEMBL7470371 0.84 CHRM1 (0.54) CHRM1DRD2KCNH2HTR2AMCHR1
SCHEMBL6963416 0.82 CHRM1 (0.58) CHRM1DRD2CHRM2CHRM4CHRM5
SCHEMBL6962033 0.81 KDM1A (0.64) CHRM1DRD2KCNH2HTR2ACHRM2
SCHEMBL7472521 0.80 CHRM5 (0.41) CHRM1DRD2HTR2AMCHR1CHRM5
SCHEMBL7466060 0.79 ALDH1A1 (0.53) CHRM1KCNH2
SCHEMBL8201840 0.78 SLC6A1 (0.48) CHRM1DRD2KCNH2HTR2AMCHR1
SCHEMBL8203622 0.78 CHRNB2 (0.47)
SCHEMBL7468275 0.76 DRD2 (0.63) CHRM1DRD2KCNH2HTR2AMCHR1
SCHEMBL7473583 0.76 SIGMAR1 (0.43) CHRM3HRH1PPARG

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
EP-0851865-B1 12H-Dibenzo[d,g][1,3]dioxocine derivatives NOVO NORDISK AS (DK) 2002-07-17 EP claimed