SCHEMBL5776992

SCHEMBL5776992

CC(C)(C)OC(=O)N1CCC(CNC(=O)NCC2CN(Cc3ccc(Cl)c(Cl)c3)CCO2)CC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 4/20 0.59
TP53 P04637 4/20 0.47
LMNA P02545 3/20 0.47
KDM4E B2RXH2 1/20 0.46
PKM P14618 1/20 0.46
DRD4 P21917 4/20 0.45
KCNH2 Q12809 3/20 0.44
MEN1 O00255 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
HTR1A P08908 1/20 0.44
ADRA2A P08913 1/20 0.44
ADORA3 P0DMS8 1/20 0.44
CYP2C9 P11712 1/20 0.44
ADRA2B P18089 1/20 0.44
HTR2C P28335 1/20 0.44
SLC6A4 P31645 1/20 0.44
CYP2C19 P33261 1/20 0.44
DRD3 P35462 1/20 0.44
HTR2B P41595 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
SCHEMBL5618366 1.00 CCR3 (0.59) CCR3TP53LMNAKDM4EPKM
SCHEMBL5841543 0.90 CCR3 (0.51) CCR3TP53LMNAKDM4EPKM
SCHEMBL4028815 0.90 CCR3 (0.51) CCR3TP53LMNAKDM4EPKM
SCHEMBL5619292 0.85 CCR3 (0.64) CCR3TP53LMNADRD4KCNH2
SCHEMBL12046265 0.84 CCR3 (0.61) CCR3LMNAKDM4EDRD4KCNH2
SCHEMBL5771404 0.84 CCR3 (0.79) CCR3LMNADRD4KCNH2MEN1
SCHEMBL5618441 0.83 CCR3 (0.63) CCR3TP53LMNADRD4KCNH2
Hydrochloric Acid SCHEMBL5618690 0.82 CCR3 (0.66) CCR3TP53LMNADRD4KCNH2
SCHEMBL5777555 0.81 CCR3 (0.58) CCR3LMNAKDM4EDRD4KCNH2
SCHEMBL5778646 0.80 CCR3 (0.83) CCR3LMNADRD4KCNH2MEN1

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-1487454-A1 MORPHOLINE DERIVATIVES SUBSTITUTED AT THE 2-POSITION BY A HETEROCYCLYLALKYLUREA GROUP FOR USE AS CCR-3 ANTAGONISTS IN THE TREATMENT OF INFLAMMATORY CONDITIONS GLAXO GROUP LIMITED (GB) 2004-12-22 EP claimed
WO-2003082295-A1 MORPHOLINE DERIVATIVES SUBSTITUTED AT THE 2-POSITION BY A HETEROCYCLYLALKYLUREA 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-1487454-A1 MORPHOLINE DERIVATIVES SUBSTITUTED AT THE 2-POSITION BY A HETEROCYCLYLALKYLUREA GROUP FOR USE AS CCR-3 ANTAGONISTS IN THE TREATMENT OF INFLAMMATORY CONDITIONS GLAXO GROUP LIMITED (GB) 2004-12-22 EP disclosed
WO-2003082295-A1 MORPHOLINE DERIVATIVES SUBSTITUTED AT THE 2-POSITION BY A HETEROCYCLYLALKYLUREA GROUP FOR USE AS CCR-3 ANTAGONISTS IN THE TREATMENT OF INFLAMMATORY CONDITIONS GLAXO GROUP LIMITED (GB) 2003-10-09 WO disclosed