SCHEMBL19201157

SCHEMBL19201157

O=C(O)CCCN1CCc2cccc(CCCc3cccc4ccccc34)c2CC1

nearest known ligand 0.75

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
S1PR5 Q9H228 13/20 0.75
HTR1A P08908 1/20 0.45
DRD2 P14416 1/20 0.45
HTR2A P28223 1/20 0.45
SLC6A4 P31645 1/20 0.45
HTR7 P34969 1/20 0.45
HRH1 P35367 1/20 0.45
DRD3 P35462 1/20 0.45
HTR2B P41595 1/20 0.45
SIGMAR1 Q99720 3/20 0.44
MC4R P32245 1/20 0.44
PTPN2 P17706 1/20 0.43
PTPN1 P18031 1/20 0.43
ADRA1D P25100 1/20 0.42
ADRA1A P35348 1/20 0.42
ADRA1B P35368 1/20 0.42

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
SCHEMBL19201155 0.86 S1PR5 (1.00) S1PR5
SCHEMBL19201119 0.85 S1PR5 (0.72) S1PR5HTR1ADRD2HTR2ASLC6A4
SCHEMBL20679829 0.79 S1PR5 (0.89) S1PR5
SCHEMBL29332485 0.77 S1PR5 (0.60) S1PR5HTR1ADRD2HTR2ASLC6A4
SCHEMBL2314388 0.75 MEN1 (0.66) ADRA1A
SCHEMBL22129565 0.74 TDP1 (0.61)
SCHEMBL30900805 0.74 TDP1 (0.61)
SCHEMBL20573749 0.73 S1PR5 (0.58) S1PR5SIGMAR1
SCHEMBL8687907 0.73 HTR7 (0.76) HTR1ADRD2HTR2ASLC6A4HTR7
SCHEMBL1616841 0.73 TDP1 (0.59) MC4R

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
WO-2017131149-A1 TETRAHYDRONAPHTHALENE DERIVATIVE 小野薬品工業株式会社 2017-08-03 WO disclosed