SCHEMBL28072797

SCHEMBL28072797

CN1CCc2ccccc2C1.F[B-](F)(F)F

nearest known ligand 0.83

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.83
MAOB P27338 2/20 0.83
DRD1 P21728 10/20 0.63
DRD5 P21918 9/20 0.63
DRD2 P14416 8/20 0.63
DRD3 P35462 7/20 0.63
DRD4 P21917 6/20 0.63
CHRM2 P08172 1/20 0.49
HTR1A P08908 1/20 0.49
ADRA2A P08913 1/20 0.49
CHRM1 P11229 1/20 0.49
SLC6A2 P23975 1/20 0.49
SLC6A4 P31645 1/20 0.49
ADRA1A P35348 1/20 0.49
OPRM1 P35372 1/20 0.49
SLC6A3 Q01959 1/20 0.49
KCNH2 Q12809 1/20 0.49
NOTUM Q6P988 1/20 0.47

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
SCHEMBL29390912 0.91 MAOA (1.00) MAOAMAOBDRD1DRD5DRD2
SCHEMBL98108 0.91 MAOA (1.00) MAOAMAOBDRD1DRD5DRD2
Hydrochloric Acid SCHEMBL23501375 0.89 MAOA (1.00) MAOAMAOBDRD1DRD5DRD2
SCHEMBL4320673 0.87 MAOA (0.91) MAOAMAOBDRD1DRD5DRD2
SCHEMBL164206 0.84 DRD1 (0.85) MAOAMAOBDRD1DRD5DRD2
SCHEMBL29391320 0.84 DRD1 (0.85) MAOAMAOBDRD1DRD5DRD2
Hydrochloric Acid SCHEMBL165521 0.82 MAOA (0.86) MAOAMAOBDRD1DRD5DRD2
Iodide SCHEMBL12468173 0.82 DRD1 (0.81) MAOAMAOBDRD1DRD5DRD2
Sulfuric Acid SCHEMBL6520165 0.80 MAOA (0.77) MAOAMAOBDRD1DRD5DRD2
SCHEMBL1950767 0.78 MAOA (0.75) MAOAMAOBDRD1DRD5DRD2

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
CN-105829518-A Compositions and processes for treatment with lipases 诺维信公司 2016-08-03 CN disclosed