SCHEMBL5867170

SCHEMBL5867170

CS(=O)(=O)c1cccc(CC(=O)NCC2CN(Cc3ccc(Cl)s3)CCO2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
CCR3 P51677 1/20 0.40
EPHX2 P34913 1/20 0.39
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
DRD2 P14416 2/20 0.38
LMNA P02545 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
HTR1A P08908 1/20 0.38
ADRA2A P08913 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
CYP2C9 P11712 1/20 0.38
ADRA2B P18089 1/20 0.38
HTR2C P28335 1/20 0.38
SLC6A4 P31645 1/20 0.38
CYP2C19 P33261 1/20 0.38
DRD3 P35462 1/20 0.38
HTR2B P41595 1/20 0.38
KCNH2 Q12809 1/20 0.38

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
SCHEMBL5833102 0.90 CCR3 (0.42) ALDH1A1CCR3KMT2AMEN1LMNA
SCHEMBL4024533 0.89 EPHX2 (0.41) ALDH1A1CCR3EPHX2KMT2AMEN1
SCHEMBL4021732 0.89 EPHX2 (0.41) ALDH1A1CCR3EPHX2KMT2AMEN1
SCHEMBL4021455 0.89 EPHX2 (0.41) ALDH1A1CCR3EPHX2KMT2AMEN1
SCHEMBL5832699 0.87 DRD4 (0.48) ALDH1A1CCR3EPHX2KMT2AMEN1
SCHEMBL5867264 0.86 CCR3 (0.54) ALDH1A1CCR3EPHX2KMT2AMEN1
SCHEMBL5832890 0.86 CCR3 (0.54) ALDH1A1CCR3EPHX2KMT2AMEN1
SCHEMBL5867261 0.86 CCR3 (0.54) ALDH1A1CCR3EPHX2KMT2AMEN1
SCHEMBL5832033 0.85 CCR3 (0.41) ALDH1A1CCR3EPHX2KMT2AMEN1
SCHEMBL5832809 0.85 EPHX2 (0.45) ALDH1A1CCR3EPHX2KMT2AMEN1

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
JP-2006504625-A 2006-02-09 JP claimed
EP-1492537-A1 MORPHOLINE DERIVATIVES WITH A SUBSTITUTED ACETAMIDE GROUP IN THE 2-POSITION FOR USE AS CCR-3 ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES GLAXO GROUP LIMITED (GB) 2005-01-05 EP claimed
WO-2003082294-A1 MORPHOLINE DERIVATIVES WITH A SUBSTITUTED ACETAMIDE GROUP IN THE 2-POSITION FOR USE AS CCR-3 ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES GLAXO GROUP LIMITED (GB) 2003-10-09 WO claimed
EP-1492537-A1 MORPHOLINE DERIVATIVES WITH A SUBSTITUTED ACETAMIDE GROUP IN THE 2-POSITION FOR USE AS CCR-3 ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES GLAXO GROUP LIMITED (GB) 2005-01-05 EP disclosed
WO-2003082294-A1 MORPHOLINE DERIVATIVES WITH A SUBSTITUTED ACETAMIDE GROUP IN THE 2-POSITION FOR USE AS CCR-3 ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES GLAXO GROUP LIMITED (GB) 2003-10-09 WO disclosed