SCHEMBL4985607

SCHEMBL4985607

CCCCCOC(=O)CNC(=O)CNC(=O)CN

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.51
NAAA Q02083 1/20 0.49
FAAH O00519 2/20 0.45
GAA P10253 1/20 0.44
RAD52 P43351 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
EPHX1 P07099 1/20 0.42
ACHE P22303 6/20 0.41
DGKA P23743 1/20 0.41
POLB P06746 1/20 0.40
PRSS1 P07477 1/20 0.40
PRSS2 P07478 1/20 0.40
PRSS3 P35030 1/20 0.40
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
THRB P10828 1/20 0.39
CNR1 P21554 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
SCHEMBL4975618 0.97 HTR2C (0.54) HTR2CNAAAFAAHGAARAD52
SCHEMBL28031180 0.95 HTR2C (0.57) HTR2CNAAAFAAHGAARAD52
SCHEMBL10625747 0.88 FAAH (0.58) HTR2CNAAAFAAHALDH1A1MAPT
SCHEMBL28757970 0.84 GAA (0.46) HTR2CNAAAGAAACHEDGKA
SCHEMBL6688119 0.84 GAA (0.65) HTR2CNAAAFAAHGAARAD52
Hydrochloric Acid SCHEMBL713839 0.83 GAA (0.44) HTR2CNAAAGAADGKAPOLB
SCHEMBL11674867 0.81 NAAA (0.63) HTR2CNAAAFAAHGAARAD52
SCHEMBL6692510 0.80 GAA (0.69) HTR2CNAAAFAAHGAARAD52
SCHEMBL7147577 0.80 GAA (0.69) HTR2CNAAAFAAHGAARAD52
SCHEMBL6686527 0.80 GAA (0.69) HTR2CNAAAFAAHGAARAD52

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1672055-B1 DETERGENT COMPOSITIONS AND PROCESSES FOR THE PRODUCTION THEREOF AJINOMOTO KK (JP) 2008-10-01 EP claimed
EP-1672055-B1 DETERGENT COMPOSITIONS AND PROCESSES FOR THE PRODUCTION THEREOF AJINOMOTO KK (JP) 2008-10-01 EP disclosed