SCHEMBL5777004

SCHEMBL5777004

O=C(NCC1CN(Cc2ccc(Cl)c(Cl)c2)CCO1)NC1CCOCC1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 2/20 0.65
DRD4 P21917 5/20 0.49
SIGMAR1 Q99720 3/20 0.48
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
LMNA P02545 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
HTR1A P08908 1/20 0.46
ADRA2A P08913 1/20 0.46
ADORA3 P0DMS8 1/20 0.46
CYP2C9 P11712 1/20 0.46
ADRA2B P18089 1/20 0.46
HTR2C P28335 1/20 0.46
SLC6A4 P31645 1/20 0.46
CYP2C19 P33261 1/20 0.46
DRD3 P35462 1/20 0.46
HTR2B P41595 1/20 0.46
KCNH2 Q12809 1/20 0.46
UTS2R Q9UKP6 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
SCHEMBL5618204 0.92 CCR3 (0.65) CCR3DRD4SIGMAR1KMT2AMEN1
SCHEMBL5777438 0.91 CCR3 (0.67) CCR3DRD4SIGMAR1KMT2AMEN1
SCHEMBL5618790 0.90 CCR3 (0.62) CCR3DRD4SIGMAR1KMT2AMEN1
Hydrochloric Acid SCHEMBL5618986 0.90 CCR3 (0.62) CCR3DRD4SIGMAR1KMT2AMEN1
SCHEMBL5771404 0.89 CCR3 (0.79) CCR3DRD4SIGMAR1KMT2AMEN1
SCHEMBL5618139 0.87 CCR3 (0.59) CCR3DRD4SIGMAR1KMT2AMEN1
SCHEMBL5774093 0.86 CCR3 (0.60) CCR3DRD4SIGMAR1KMT2AMEN1
SCHEMBL5774101 0.86 CCR3 (0.60) CCR3DRD4SIGMAR1KMT2AMEN1
SCHEMBL5777555 0.86 CCR3 (0.58) CCR3DRD4SIGMAR1KMT2AMEN1
SCHEMBL5619005 0.86 CCR3 (0.60) CCR3DRD4SIGMAR1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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