SCHEMBL9484247

SCHEMBL9484247

O=S(=O)(O)CCCN1CCN(c2ccccc2Cl)CC1

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.59
LMNA P02545 1/20 0.59
DRD2 P14416 5/20 0.57
DRD4 P21917 4/20 0.57
DRD3 P35462 4/20 0.56
HTR1A P08908 3/20 0.56
ADRA1A P35348 4/20 0.54
ADRA1B P35368 4/20 0.54
CACNA1G O43497 1/20 0.54
ADRA1D P25100 2/20 0.52

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
SCHEMBL9484162 0.84 ADRA1B (0.55) LMNADRD2DRD4DRD3HTR1A
SCHEMBL917689 0.84 HTR7 (0.54) KDM4ELMNADRD2DRD3ADRA1A
SCHEMBL10672521 0.84 DRD2 (0.47) KDM4ELMNADRD2DRD4DRD3
SCHEMBL9118899 0.82 DRD2 (0.54) DRD2DRD4DRD3HTR1AADRA1A
SCHEMBL917869 0.82 KCNH2 (0.67) DRD2DRD4DRD3HTR1A
SCHEMBL9484192 0.81 FAAH (0.54) DRD2DRD4DRD3HTR1AADRA1A
SCHEMBL9483949 0.81 DRD2 (0.67) KDM4EDRD2DRD4DRD3HTR1A
SCHEMBL9559590 0.80 KDM4E (0.68) KDM4ELMNADRD2DRD4DRD3
SCHEMBL918001 0.79 DRD2 (0.61) KDM4EDRD2DRD4DRD3HTR1A
SCHEMBL11273863 0.79 KDM4E (0.70) KDM4ELMNADRD2DRD4DRD3

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 5 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 claimed
EP-0278008-A1 TAURINE TYPE COMPOUNDS TAIHO PHARMACEUTICAL COMPANY LIMITED (JP) 1988-08-17 EP claimed
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