SCHEMBL8224769

SCHEMBL8224769

O=[N+]([O-])c1ccc2c(c1)CC(CO)CO2

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PNMT P11086 5/20 0.48
ADRA2A P08913 3/20 0.48
MTNR1A P48039 1/20 0.40
ADRA2B P18089 1/20 0.40
ADRA2C P18825 1/20 0.40
CHRNB4 P30926 4/20 0.39
CHRNA3 P32297 4/20 0.39

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
SCHEMBL27330132 0.81 PNMT (0.42) PNMTADRA2AADRA2BADRA2CCHRNB4
SCHEMBL2246074 0.79 PNMT (0.62) PNMTADRA2AADRA2BADRA2C
SCHEMBL31561625 0.78 CHRNB4 (0.44) PNMTADRA2AADRA2BADRA2CCHRNB4
SCHEMBL28869614 0.74 MAPT (0.50) PNMTADRA2AMTNR1AADRA2BADRA2C
SCHEMBL4108185 0.74 MTNR1A (0.47) PNMTADRA2AMTNR1AADRA2BADRA2C
SCHEMBL3029057 0.73 CHRNB4 (0.51) PNMTADRA2ACHRNB4CHRNA3
SCHEMBL1011267 0.73 CHRNB4 (0.51) PNMTADRA2ACHRNB4CHRNA3
SCHEMBL1011265 0.73 CHRNB4 (0.51) PNMTADRA2ACHRNB4CHRNA3
SCHEMBL3033668 0.73 CHRNB4 (0.51) PNMTADRA2ACHRNB4CHRNA3
SCHEMBL5228137 0.71 MTNR1A (0.67) MTNR1A

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-2007139998-A2 SYNTHESIS OF A COMPOUND WHICH IS A SUITABLE INTERMEDIATE IN THE SYNTHESIS OF OXINDOLEDIOXANE DERIVATIVES WYETH (US) 2007-12-06 WO disclosed