SCHEMBL5777643

SCHEMBL5777643

CC(=O)NCCNC(=O)NCC1CN(Cc2ccc(Cl)c(Cl)c2)CCO1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 2/20 0.69
DRD4 P21917 11/20 0.50
KCNH2 Q12809 2/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 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
DRD3 P35462 1/20 0.50
HTR2B P41595 1/20 0.50
SIGMAR1 Q99720 1/20 0.50
CACNA1H O95180 1/20 0.46

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
SCHEMBL1810573 0.92 CCR3 (0.67) CCR3DRD4KCNH2MEN1KMT2A
SCHEMBL1810572 0.92 CCR3 (0.67) CCR3DRD4KCNH2MEN1KMT2A
SCHEMBL30211803 0.92 CCR3 (0.67) CCR3DRD4KCNH2MEN1KMT2A
SCHEMBL5771404 0.92 CCR3 (0.79) CCR3DRD4KCNH2MEN1KMT2A
SCHEMBL5776594 0.91 CCR3 (0.70) CCR3DRD4KCNH2MEN1KMT2A
Hydrochloric Acid SCHEMBL30211801 0.91 CCR3 (0.66) CCR3DRD4KCNH2MEN1KMT2A
SCHEMBL5774804 0.89 CCR3 (0.65) CCR3DRD4KCNH2MEN1KMT2A
SCHEMBL5778646 0.88 CCR3 (0.83) CCR3DRD4KCNH2MEN1KMT2A
SCHEMBL5775165 0.87 CCR3 (0.68) CCR3DRD4KCNH2MEN1KMT2A
SCHEMBL5777584 0.87 CCR3 (0.68) CCR3DRD4KCNH2MEN1KMT2A

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