SCHEMBL8425949

SCHEMBL8425949

O=[N+]([O-])c1ccc2c(c1)CCC(CC(O)C(F)(F)F)O2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNMT P11086 5/20 0.36
ADRA2A P08913 5/20 0.36
GRIN2B Q13224 3/20 0.36
CRHBP P24387 1/20 0.35
CRHR2 Q13324 1/20 0.35
TLR9 Q9NR96 1/20 0.35
MLNR O43193 1/20 0.35
ADRB2 P07550 1/20 0.35
ADRB1 P08588 1/20 0.35
HTR1A P08908 1/20 0.35
ADORA3 P0DMS8 1/20 0.35
CHRM1 P11229 1/20 0.35
DRD2 P14416 1/20 0.35
KCNE1 P15382 1/20 0.35
ADRA2B P18089 1/20 0.35
ADRA2C P18825 1/20 0.35
CNR1 P21554 1/20 0.35
SLC6A2 P23975 1/20 0.35
NPY1R P25929 1/20 0.35
HTR2A P28223 1/20 0.35

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
SCHEMBL10508397 0.80 PNMT (0.48) PNMTADRA2AGRIN2BADRA2BADRA2C
SCHEMBL8425944 0.80 PNMT (0.38) PNMTADRA2AGRIN2BFFAR4FFAR1
SCHEMBL8424903 0.80 PNMT (0.38) PNMTADRA2AGRIN2BFFAR4FFAR1
SCHEMBL8424902 0.80 PNMT (0.38) PNMTADRA2AGRIN2BFFAR4FFAR1
SCHEMBL8425206 0.79 GRIN2B (0.41) GRIN2BDRD2DRD3FFAR4FFAR1
SCHEMBL7390944 0.78 GRIN2B (0.41) PNMTADRA2AGRIN2BTLR9ADRA2B
SCHEMBL16650443 0.78 PNMT (0.46) PNMTADRA2AGRIN2BCRHBPCRHR2
SCHEMBL6492849 0.77 ITGB3 (0.50) PNMTADRA2AGRIN2BFFAR4FFAR1
SCHEMBL6493305 0.77 ITGB3 (0.50) PNMTADRA2AGRIN2BFFAR4FFAR1
SCHEMBL8428771 0.76 CA2 (0.46) ADRA2AHTR1AADRA2BADRA2C

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
US-5925662-A OXIDASE INHIBITORS SYNTHELABO (FR) 1999-07-20 US disclosed