SCHEMBL9484162

SCHEMBL9484162

Cc1ccccc1N1CCN(CCCS(=O)(=O)O)CC1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADRA1B P35368 3/20 0.55
DRD3 P35462 5/20 0.53
ADRA1A P35348 4/20 0.53
DRD2 P14416 4/20 0.53
ADRA1D P25100 2/20 0.52
HTR7 P34969 2/20 0.52
HTR1A P08908 1/20 0.52
DRD4 P21917 1/20 0.52
MEN1 O00255 1/20 0.52
ALDH1A1 P00352 1/20 0.52
LMNA P02545 1/20 0.52
MAPT P10636 1/20 0.52
HPGD P15428 1/20 0.52
KMT2A Q03164 1/20 0.52
FAAH O00519 2/20 0.52
CNR1 P21554 1/20 0.49

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
SCHEMBL9484247 0.84 KDM4E (0.59) ADRA1BDRD3ADRA1ADRD2ADRA1D
SCHEMBL10672521 0.83 DRD2 (0.47) ADRA1BDRD3DRD2DRD4LMNA
SCHEMBL917689 0.83 HTR7 (0.54) DRD3ADRA1ADRD2HTR7ALDH1A1
SCHEMBL9483949 0.83 DRD2 (0.67) ADRA1BDRD3ADRA1ADRD2ADRA1D
SCHEMBL9118899 0.81 DRD2 (0.54) ADRA1BDRD3ADRA1ADRD2ADRA1D
SCHEMBL917869 0.81 KCNH2 (0.67) DRD3DRD2HTR7HTR1ADRD4
SCHEMBL21009569 0.81 ADRA1B (0.58) ADRA1BDRD3ADRA1ADRD2ADRA1D
SCHEMBL9484192 0.80 FAAH (0.54) ADRA1BDRD3ADRA1ADRD2ADRA1D
SCHEMBL3200095 0.79 ADRA1B (0.56) ADRA1BDRD3ADRA1ADRD2ADRA1D
SCHEMBL11213938 0.79 MEN1 (0.62) ADRA1BDRD3ADRA1ADRD2ADRA1D

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