SCHEMBL5777555

SCHEMBL5777555

CCOC(=O)N1CCC(NC(=O)NCC2CN(Cc3ccc(Cl)c(Cl)c3)CCO2)CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 2/20 0.58
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
SIGMAR1 Q99720 3/20 0.48
LMNA P02545 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
HTR1A P08908 1/20 0.48
ADRA2A P08913 1/20 0.48
ADORA3 P0DMS8 1/20 0.48
CYP2C9 P11712 1/20 0.48
ADRA2B P18089 1/20 0.48
HTR2C P28335 1/20 0.48
SLC6A4 P31645 1/20 0.48
CYP2C19 P33261 1/20 0.48
DRD3 P35462 1/20 0.48
HTR2B P41595 1/20 0.48
KCNH2 Q12809 1/20 0.48
ALDH1A1 P00352 3/20 0.48
KDM4E B2RXH2 1/20 0.48

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
SCHEMBL5618790 0.89 CCR3 (0.62) CCR3MEN1KMT2ASIGMAR1LMNA
SCHEMBL5778373 0.87 CCR3 (0.57) CCR3MEN1KMT2ASIGMAR1LMNA
SCHEMBL5618204 0.86 CCR3 (0.65) CCR3MEN1KMT2ASIGMAR1LMNA
SCHEMBL5777004 0.86 CCR3 (0.65) CCR3MEN1KMT2ASIGMAR1LMNA
SCHEMBL5777438 0.85 CCR3 (0.67) CCR3MEN1KMT2ASIGMAR1LMNA
SCHEMBL5619005 0.85 CCR3 (0.60) CCR3MEN1KMT2ASIGMAR1DRD4
SCHEMBL5618139 0.84 CCR3 (0.59) CCR3MEN1KMT2ASIGMAR1LMNA
Hydrochloric Acid SCHEMBL5618986 0.83 CCR3 (0.62) CCR3MEN1KMT2ASIGMAR1LMNA
SCHEMBL5771404 0.82 CCR3 (0.79) CCR3MEN1KMT2ASIGMAR1LMNA
SCHEMBL5618366 0.81 CCR3 (0.59) CCR3MEN1KMT2ASIGMAR1LMNA

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