SCHEMBL5774785

SCHEMBL5774785

O=C(NCc1ccc(S(=O)(=O)Nc2nccs2)cc1)NCC1CN(Cc2ccc(Cl)c(Cl)c2)CCO1

nearest known ligand 0.63

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 1/20 0.63
SCN8A Q9UQD0 14/20 0.48
SCN1A P35498 13/20 0.48
NAMPT P43490 1/20 0.47
SCN3A Q9NY46 2/20 0.46
METAP2 P50579 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
SCHEMBL4485234 0.85 CCR3 (0.68) CCR3
SCHEMBL4480148 0.85 CCR3 (0.68) CCR3
Water SCHEMBL4500352 0.84 CCR3 (0.67) CCR3NAMPT
Water SCHEMBL4502061 0.84 CCR3 (0.67) CCR3NAMPT
SCHEMBL5775843 0.83 CCR3 (0.70) CCR3NAMPT
SCHEMBL5776845 0.83 CCR3 (0.74) CCR3
SCHEMBL5777905 0.83 CCR3 (0.77) CCR3
Water SCHEMBL4499620 0.83 CCR3 (0.67) CCR3NAMPT
Water SCHEMBL4684055 0.83 CCR3 (0.67) CCR3NAMPT
SCHEMBL5778646 0.82 CCR3 (0.83) CCR3

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