SCHEMBL5776666

SCHEMBL5776666

O=C(NCc1cccc(C(=O)NC2CC2)c1)NCC1CN(Cc2ccc(Cl)c(Cl)c2)CCO1

nearest known ligand 0.68

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 1/20 0.68
KMT2A Q03164 2/20 0.54
MEN1 O00255 1/20 0.54
EPHX2 P34913 1/20 0.50
DRD4 P21917 4/20 0.47
DRD2 P14416 2/20 0.47
HTR2A P28223 1/20 0.47
MCHR1 Q99705 4/20 0.46
SIGMAR1 Q99720 3/20 0.45
UTS2R Q9UKP6 4/20 0.44

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
SCHEMBL5771860 0.92 CCR3 (0.77) CCR3KMT2AMEN1EPHX2DRD4
SCHEMBL5778423 0.92 CCR3 (0.77) CCR3KMT2AMEN1EPHX2DRD4
SCHEMBL5774254 0.91 CCR3 (0.73) CCR3KMT2AMEN1EPHX2DRD4
SCHEMBL5778335 0.90 CCR3 (0.70) CCR3KMT2AMEN1EPHX2DRD4
SCHEMBL5774562 0.90 CCR3 (0.70) CCR3KMT2AMEN1EPHX2DRD4
SCHEMBL6558579 0.89 CCR3 (0.69) CCR3KMT2AMEN1EPHX2DRD4
SCHEMBL5773969 0.89 CCR3 (0.69) CCR3KMT2AMEN1EPHX2DRD4
SCHEMBL5832976 0.89 CCR3 (0.55) CCR3KMT2AMEN1EPHX2DRD4
SCHEMBL4023368 0.89 CCR3 (0.55) CCR3KMT2AMEN1EPHX2DRD4
SCHEMBL5778646 0.87 CCR3 (0.83) CCR3KMT2AMEN1EPHX2DRD4

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-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-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