SCHEMBL4673703

SCHEMBL4673703

CCN(CC)C(=O)COc1cc(Cl)ccc1C(=O)NCCN1CCN(Cc2ccc(Cl)c(Cl)c2)CC1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 1/20 0.54
DRD4 P21917 2/20 0.44
SIGMAR1 Q99720 1/20 0.44
CACNA1G O43497 1/20 0.44
BCHE P06276 2/20 0.44
ACHE P22303 2/20 0.44
FAAH O00519 1/20 0.44
MCHR1 Q99705 1/20 0.42
LMNA P02545 1/20 0.42
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CYP2C19 P33261 1/20 0.41

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
Hydrochloric Acid SCHEMBL4678072 0.99 CCR3 (0.54) CCR3DRD4SIGMAR1CACNA1GBCHE
SCHEMBL4673208 0.94 CCR3 (0.51) CCR3DRD4SIGMAR1CACNA1GBCHE
SCHEMBL4672981 0.91 CCR3 (0.56) CCR3DRD4SIGMAR1CACNA1GBCHE
Hydrochloric Acid SCHEMBL4680340 0.91 CCR3 (0.55) CCR3DRD4SIGMAR1CACNA1GBCHE
SCHEMBL4674227 0.89 CCR3 (0.52) CCR3DRD4SIGMAR1CACNA1GBCHE
Hydrochloric Acid SCHEMBL4678266 0.89 CCR3 (0.51) CCR3DRD4SIGMAR1CACNA1GBCHE
SCHEMBL4673054 0.88 CCR3 (0.52) CCR3DRD4SIGMAR1CACNA1GBCHE
SCHEMBL4674096 0.88 CCR3 (0.57) CCR3DRD4SIGMAR1CACNA1GBCHE
SCHEMBL4673649 0.87 CCR3 (0.57) CCR3DRD4SIGMAR1CACNA1GBCHE
Hydrochloric Acid SCHEMBL4680263 0.87 CCR3 (0.56) CCR3DRD4SIGMAR1CACNA1GBCHE

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1196404-B1 PIPERAZINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY ASTRAZENECA UK LTD (GB) 2008-01-23 EP claimed
EP-1196404-B1 PIPERAZINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY ASTRAZENECA UK LTD (GB) 2008-01-23 EP disclosed
EP-1196404-B1 PIPERAZINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY ASTRAZENECA UK LTD (GB) 2008-01-23 EP disclosed
US-6562825-B1 For treating inflammatory disease including asthma and allergic diseases, as well as autoimmune pathologies ASTRAZENECA UK LIMITED (GB) 2003-05-13 US disclosed
EP-1196404-A1 PIPERAZINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY Astrazeneca UK Limited (GB) 2002-04-17 EP disclosed
WO-2001002381-A1 PIPERAZINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY ASTRAZENECA UK LIMITED (GB) 2001-01-11 WO disclosed