SCHEMBL9484192

SCHEMBL9484192

O=S(=O)(O)CCCN1CCN(c2ccccc2C(F)(F)F)CC1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FAAH O00519 4/20 0.54
DRD3 P35462 4/20 0.54
DRD2 P14416 5/20 0.53
HTR1A P08908 4/20 0.53
HTR2A P28223 3/20 0.53
HTR7 P34969 3/20 0.53
HTR6 P50406 2/20 0.53
AKR1C3 P42330 1/20 0.50
ADRA1D P25100 1/20 0.50
ADRA1A P35348 1/20 0.50
ADRA1B P35368 1/20 0.50
DRD4 P21917 1/20 0.49
GRM2 Q14416 1/20 0.49
GAA P10253 1/20 0.47
HSD11B1 P28845 2/20 0.46
TTR P02766 1/20 0.45

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
SCHEMBL917689 0.83 HTR7 (0.54) DRD3DRD2HTR7ADRA1AGAA
SCHEMBL9484247 0.81 KDM4E (0.59) DRD3DRD2HTR1AADRA1DADRA1A
SCHEMBL3209304 0.81 FAAH (0.55) FAAHDRD3DRD2HTR1AHTR2A
SCHEMBL10672521 0.80 DRD2 (0.47) DRD3DRD2ADRA1BDRD4
SCHEMBL9484162 0.80 ADRA1B (0.55) FAAHDRD3DRD2HTR1AHTR7
SCHEMBL2090844 0.80 HTR1A (0.55) FAAHDRD3DRD2HTR1AHTR2A
SCHEMBL8828520 0.80 CYP2D6 (0.56) FAAHDRD3DRD2HTR1AHTR2A
SCHEMBL3209314 0.79 DRD2 (0.57) FAAHDRD3DRD2HTR1AHTR2A
SCHEMBL2091264 0.79 DRD2 (0.57) FAAHDRD3DRD2HTR1AHTR2A
SCHEMBL9118899 0.78 DRD2 (0.54) DRD3DRD2HTR1AHTR7ADRA1D

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-0278008-B1 TAURINE TYPE COMPOUNDS TAIHO PHARMACEUTICAL COMPANY LIMITED (JP) 1993-01-20 EP disclosed
US-4870078-A TAURINE-TYPE COMPOUNDS TAIHO PHARMACEUTICAL CO., LTD. (JP) 1989-09-26 US disclosed
EP-0278008-A1 TAURINE TYPE COMPOUNDS TAIHO PHARMACEUTICAL COMPANY LIMITED (JP) 1988-08-17 EP disclosed