SCHEMBL5778423

SCHEMBL5778423

O=C(NCc1ccc(C(=O)NC2CC2)cc1)NC[C@H]1CN(Cc2ccc(Cl)c(Cl)c2)CCO1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 1/20 0.77
KMT2A Q03164 3/20 0.55
MEN1 O00255 2/20 0.55
DRD4 P21917 2/20 0.50
DRD2 P14416 2/20 0.50
HTR2A P28223 1/20 0.50
MCHR1 Q99705 3/20 0.49
KDM4E B2RXH2 1/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
UTS2R Q9UKP6 6/20 0.46
SIGMAR1 Q99720 2/20 0.44
HTR1A P08908 2/20 0.44
HTR2C P28335 2/20 0.44
HTR2B P41595 2/20 0.44
LMNA P02545 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
ADRA2A P08913 1/20 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 1.00 CCR3 (0.77) CCR3KMT2AMEN1DRD4DRD2
SCHEMBL24087420 0.94 CCR3 (0.70) CCR3KMT2AMEN1DRD4DRD2
SCHEMBL5776666 0.92 CCR3 (0.68) CCR3KMT2AMEN1DRD4DRD2
SCHEMBL5618928 0.89 CCR3 (0.80) CCR3KMT2AMEN1DRD4DRD2
SCHEMBL5618349 0.89 CCR3 (0.80) CCR3KMT2AMEN1DRD4DRD2
SCHEMBL5833132 0.89 CCR3 (0.60) CCR3KMT2AMEN1DRD4DRD2
SCHEMBL5775895 0.89 CCR3 (0.79) CCR3KMT2AMEN1DRD4SMN1; SMN2
SCHEMBL5618816 0.88 CCR3 (0.84) CCR3KMT2AMEN1DRD4DRD2
SCHEMBL20415267 0.88 CCR3 (0.84) CCR3KMT2AMEN1DRD4DRD2
SCHEMBL5778646 0.88 CCR3 (0.83) CCR3KMT2AMEN1DRD4SIGMAR1

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