SCHEMBL5775065

SCHEMBL5775065

COc1ccc(CCNC(=O)NCC2CN(Cc3ccc(Cl)c(Cl)c3)CCO2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 1/20 0.63
DRD4 P21917 12/20 0.53
DRD3 P35462 2/20 0.53
DRD2 P14416 1/20 0.53
KDM4E B2RXH2 1/20 0.52
MEN1 O00255 1/20 0.50
LMNA P02545 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
HTR1A P08908 1/20 0.50
ADRA2A P08913 1/20 0.50
ADORA3 P0DMS8 1/20 0.50
CYP2C9 P11712 1/20 0.50
ADRA2B P18089 1/20 0.50
HTR2C P28335 1/20 0.50
SLC6A4 P31645 1/20 0.50
CYP2C19 P33261 1/20 0.50
HTR2B P41595 1/20 0.50
KMT2A Q03164 1/20 0.50
KCNH2 Q12809 1/20 0.50

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
SCHEMBL5618747 0.91 CCR3 (0.75) CCR3DRD4DRD3DRD2MEN1
SCHEMBL5771623 0.91 CCR3 (0.75) CCR3DRD4DRD3DRD2MEN1
SCHEMBL5778948 0.91 CCR3 (0.60) CCR3DRD4DRD3DRD2KDM4E
SCHEMBL5618051 0.89 CCR3 (0.67) CCR3DRD4DRD3DRD2MEN1
SCHEMBL5775589 0.88 CCR3 (0.66) CCR3DRD4DRD3DRD2KDM4E
SCHEMBL5771404 0.87 CCR3 (0.79) CCR3DRD4DRD3MEN1LMNA
SCHEMBL4028820 0.86 CCR3 (0.58) CCR3DRD4DRD3DRD2MEN1
SCHEMBL5776594 0.86 CCR3 (0.70) CCR3DRD4DRD3KDM4EMEN1
SCHEMBL5777643 0.85 CCR3 (0.69) CCR3DRD4DRD3MEN1LMNA
SCHEMBL5777946 0.85 CCR3 (0.64) CCR3DRD4DRD3KDM4EMEN1

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