SCHEMBL5771792

SCHEMBL5771792

O=C(NCCCS(=O)(=O)c1ccccc1)NCC1CN(Cc2ccc(Cl)c(Cl)c2)CCO1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 1/20 0.60
DRD4 P21917 10/20 0.50
SIGMAR1 Q99720 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
CYP1A2 P05177 2/20 0.43
CYP3A4 P08684 2/20 0.43
CYP2C9 P11712 2/20 0.43
DRD3 P35462 2/20 0.43
LMNA P02545 1/20 0.43
HTR1A P08908 1/20 0.43
ADRA2A P08913 1/20 0.43
ADORA3 P0DMS8 1/20 0.43
ADRA2B P18089 1/20 0.43
HTR2C P28335 1/20 0.43
SLC6A4 P31645 1/20 0.43
CYP2C19 P33261 1/20 0.43
HTR2B P41595 1/20 0.43
KCNH2 Q12809 1/20 0.43
EPHX2 P34913 1/20 0.42

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
SCHEMBL5617939 0.87 CCR3 (0.63) CCR3DRD4SIGMAR1MEN1KMT2A
SCHEMBL5618653 0.86 CCR3 (0.62) CCR3DRD4SIGMAR1MEN1KMT2A
SCHEMBL5618559 0.85 CCR3 (0.61) CCR3DRD4SIGMAR1MEN1KMT2A
SCHEMBL5774727 0.85 CCR3 (0.61) CCR3DRD4SIGMAR1MEN1KMT2A
SCHEMBL5776446 0.85 CCR3 (0.61) CCR3DRD4SIGMAR1MEN1KMT2A
SCHEMBL5776139 0.85 CCR3 (0.61) CCR3DRD4SIGMAR1MEN1KMT2A
SCHEMBL5618744 0.85 CCR3 (0.67) CCR3DRD4SIGMAR1MEN1KMT2A
SCHEMBL5618051 0.85 CCR3 (0.67) CCR3DRD4SIGMAR1MEN1KMT2A
SCHEMBL5771404 0.84 CCR3 (0.79) CCR3DRD4SIGMAR1MEN1KMT2A
Hydrochloric Acid SCHEMBL5618246 0.84 CCR3 (0.66) CCR3DRD4SIGMAR1MEN1KMT2A

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