SCHEMBL5777905

SCHEMBL5777905

NS(=O)(=O)c1ccc(CNC(=O)NCC2CN(Cc3ccc(Cl)c(Cl)c3)CCO2)cc1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 1/20 0.77
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
HTT P42858 2/20 0.48
PTPN7 P35236 1/20 0.48
CA1 P00915 10/20 0.48
CA2 P00918 10/20 0.48
CA9 Q16790 7/20 0.48
CA12 O43570 1/20 0.48
DRD4 P21917 3/20 0.46
LMNA P02545 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
HTR1A P08908 1/20 0.45
ADRA2A P08913 1/20 0.45
ADORA3 P0DMS8 1/20 0.45
CYP2C9 P11712 1/20 0.45
ADRA2B P18089 1/20 0.45
HTR2C P28335 1/20 0.45
SLC6A4 P31645 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
SCHEMBL5777946 0.91 CCR3 (0.64) CCR3MEN1KMT2AHTTPTPN7
SCHEMBL5776845 0.91 CCR3 (0.74) CCR3MEN1KMT2AHTTPTPN7
SCHEMBL5778646 0.90 CCR3 (0.83) CCR3MEN1KMT2ADRD4LMNA
SCHEMBL5618234 0.89 CCR3 (0.82) CCR3MEN1KMT2ADRD4LMNA
SCHEMBL5831926 0.88 CCR3 (0.60) CCR3MEN1KMT2AHTTPTPN7
SCHEMBL5775843 0.88 CCR3 (0.70) CCR3MEN1KMT2AHTTDRD4
SCHEMBL5618925 0.88 CCR3 (0.81) CCR3MEN1KMT2ADRD4LMNA
SCHEMBL5771404 0.87 CCR3 (0.79) CCR3MEN1KMT2ADRD4LMNA
SCHEMBL2836527 0.87 CCR3 (1.00) CCR3MEN1KMT2ADRD4LMNA
SCHEMBL1191539 0.87 CCR3 (1.00) CCR3MEN1KMT2ADRD4LMNA

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1487455-A1 MORPHOLINE DERIVATIVES SUBSTITUTED AT THE 2-POSITION BY AN ARYLALKYLUREA GROUP FOR USE AS CCR-3 ANTAGONISTS IN THE TREATMENT OF INFLAMMATORY CONDITIONS GLAXO GROUP LIMITED (GB) 2004-12-22 EP claimed
WO-2003082292-A1 MORPHOLINE DERIVATIVES SUBSTITUTED AT THE 2-POSITION BY AN ARYLALKYLUREA GROUP FOR USE AS CCR-3 ANTAGONISTS IN THE TREATMENT OF INFLAMMATORY CONDITIONS GLAXO GROUP LIMITED (GB) 2003-10-09 WO claimed
EP-1324991-B1 COMPOUNDS USEFUL IN THE TREATMENT OF INFLAMMATORY DISEASES GLAXO GROUP LTD (GB) 2006-11-15 EP disclosed
EP-1586567-A1 Compounds useful in the treatment of inflammatory diseases GLAXO GROUP LIMITED (GB) 2005-10-19 EP disclosed
EP-1487455-A1 MORPHOLINE DERIVATIVES SUBSTITUTED AT THE 2-POSITION BY AN ARYLALKYLUREA GROUP FOR USE AS CCR-3 ANTAGONISTS IN THE TREATMENT OF INFLAMMATORY CONDITIONS GLAXO GROUP LIMITED (GB) 2004-12-22 EP disclosed
WO-2003082292-A1 MORPHOLINE DERIVATIVES SUBSTITUTED AT THE 2-POSITION BY AN ARYLALKYLUREA GROUP FOR USE AS CCR-3 ANTAGONISTS IN THE TREATMENT OF INFLAMMATORY CONDITIONS GLAXO GROUP LIMITED (GB) 2003-10-09 WO disclosed