SCHEMBL6131894

SCHEMBL6131894

CNC(=O)Oc1ccc(CCN2CCN(c3ccccc3C(F)(F)F)CC2)cc1OC

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 5/20 0.53
ADRA1A P35348 5/20 0.53
ADRA1B P35368 5/20 0.53
FAAH O00519 3/20 0.50
DRD3 P35462 2/20 0.50
RBP4 P02753 1/20 0.50
HTR1A P08908 1/20 0.46
EBP Q15125 2/20 0.46
SIGMAR1 Q99720 2/20 0.46
TMEM97 Q5BJF2 1/20 0.46

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
SCHEMBL6131819 0.90 ADRA1D (0.56) ADRA1DADRA1AADRA1BRBP4HTR1A
SCHEMBL6131931 0.89 ADRA1D (0.53) ADRA1DADRA1AADRA1BRBP4HTR1A
Hydrochloric Acid SCHEMBL6131923 0.88 ADRA1D (0.52) ADRA1DADRA1AADRA1BFAAHRBP4
SCHEMBL6131799 0.88 ADRA1D (0.56) ADRA1DADRA1AADRA1BHTR1A
SCHEMBL6131874 0.87 ADRA1D (0.57) ADRA1DADRA1AADRA1BFAAHDRD3
SCHEMBL6131928 0.87 ADRA1D (0.57) ADRA1DADRA1AADRA1BFAAHDRD3
Hydrochloric Acid SCHEMBL6132049 0.85 ADRA1D (0.55) ADRA1DADRA1AADRA1BFAAHDRD3
SCHEMBL6132007 0.84 ADRA1D (0.76) ADRA1DADRA1AADRA1BHTR1A
SCHEMBL6131810 0.83 ADRA1D (0.55) ADRA1DADRA1AADRA1BHTR1A
Hydrochloric Acid SCHEMBL6131853 0.82 ADRA1D (0.54) ADRA1DADRA1AADRA1BHTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1032559-A4 AMINOALKYLPHENOL DERIVATIVES AND RELATED COMPOUNDS AVENTIS PHARMA INC (US) 2005-05-25 EP claimed
EP-1032559-A1 AMINOALKYLPHENOL DERIVATIVES AND RELATED COMPOUNDS AVENTIS PHARMACEUTICALS INC. (US) 2000-09-06 EP claimed
WO-1999016746-A1 AMINOALKYLPHENOL DERIVATIVES AND RELATED COMPOUNDS AVENTIS PHARMACEUTICALS INC. (US) 1999-04-08 WO claimed