SCHEMBL9670705

SCHEMBL9670705

CN(C)CCCC(O)c1ccc(C(O)CCCN(C)C)cc1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.55
HRH1 P35367 2/20 0.55
AOC3 Q16853 4/20 0.41
HPGD P15428 1/20 0.41
UTS2R Q9UKP6 2/20 0.41
CACNA1F O60840 1/20 0.40
CHRM2 P08172 1/20 0.40
ADRA2B P18089 1/20 0.40
ADRA2C P18825 1/20 0.40
CHRM3 P20309 1/20 0.40
SLC6A4 P31645 1/20 0.40
DRD3 P35462 1/20 0.40
CACNA1D Q01668 1/20 0.40
KCNH2 Q12809 1/20 0.40
CACNA1S Q13698 1/20 0.40
CACNA1C Q13936 1/20 0.40
ALDH1A1 P00352 1/20 0.40
RIPK1 Q13546 1/20 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
SCHEMBL29784674 0.90 AOC3 (0.56) HTR2AHRH1AOC3SLC6A4
SCHEMBL2279687 0.90 AOC3 (0.56) HTR2AHRH1AOC3UTS2R
SCHEMBL5610068 0.90 HTR2A (0.71) HTR2AHRH1AOC3CHRM2ADRA2B
SCHEMBL11433536 0.83 HTR2A (0.53) HTR2AHRH1UTS2RALDH1A1
SCHEMBL11390029 0.83 HTR2A (0.53) HTR2AHRH1AOC3HPGDUTS2R
SCHEMBL5463519 0.81 UTS2R (0.46) HTR2AHRH1UTS2R
Hydrochloric Acid SCHEMBL14775166 0.80 POLB (0.52) HTR2AHRH1SLC6A4ALDH1A1
SCHEMBL6829520 0.79 AOC3 (0.58) HTR2AHRH1AOC3SLC6A4
SCHEMBL188905 0.79 HTR2A (0.42) HTR2AHRH1AOC3ALDH1A1RIPK1
SCHEMBL4731821 0.79 HTR2A (0.42) HTR2AHRH1AOC3RIPK1

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-5093370-A Useful prior to insertion of tracheotomy tube or discission TOBISHI YAKUHIN KOGYO KABUSHIKI KAISHA (JP) 1992-03-03 US disclosed