SCHEMBL5774727

SCHEMBL5774727

CCCS(=O)(=O)CCCNC(=O)NC[C@H]1CN(Cc2ccc(Cl)c(Cl)c2)CCO1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 3/20 0.61
KCNH2 Q12809 2/20 0.47
MEN1 O00255 1/20 0.47
LMNA P02545 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
HTR1A P08908 1/20 0.47
ADRA2A P08913 1/20 0.47
ADORA3 P0DMS8 1/20 0.47
CYP2C9 P11712 1/20 0.47
ADRA2B P18089 1/20 0.47
HTR2C P28335 1/20 0.47
SLC6A4 P31645 1/20 0.47
CYP2C19 P33261 1/20 0.47
DRD3 P35462 1/20 0.47
HTR2B P41595 1/20 0.47
KMT2A Q03164 1/20 0.47
SIGMAR1 Q99720 1/20 0.47
DRD4 P21917 10/20 0.44
CCR2 P41597 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 0.95 CCR3 (0.63) CCR3KCNH2MEN1LMNACYP1A2
SCHEMBL5618653 0.89 CCR3 (0.62) CCR3KCNH2MEN1LMNACYP1A2
SCHEMBL5776594 0.88 CCR3 (0.70) CCR3KCNH2MEN1LMNACYP1A2
SCHEMBL5776446 0.88 CCR3 (0.61) CCR3KCNH2MEN1LMNACYP1A2
SCHEMBL5776139 0.88 CCR3 (0.61) CCR3KCNH2MEN1LMNACYP1A2
SCHEMBL5618559 0.86 CCR3 (0.61) CCR3KCNH2MEN1LMNACYP1A2
SCHEMBL5771792 0.85 CCR3 (0.60) CCR3KCNH2MEN1LMNACYP1A2
SCHEMBL5771404 0.85 CCR3 (0.79) CCR3KCNH2MEN1LMNACYP1A2
SCHEMBL5776976 0.85 CCR3 (0.64) CCR3KCNH2MEN1LMNACYP1A2
SCHEMBL5774804 0.84 CCR3 (0.65) CCR3KCNH2MEN1LMNACYP1A2

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