SCHEMBL4674227

SCHEMBL4674227

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

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 1/20 0.52
UTS2R Q9UKP6 3/20 0.43
DRD4 P21917 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
CACNA1G O43497 1/20 0.42
BCHE P06276 2/20 0.42
ACHE P22303 2/20 0.42
FAAH O00519 1/20 0.42
MCHR1 Q99705 1/20 0.41
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
LMNA P02545 1/20 0.40
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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 SCHEMBL4678266 0.99 CCR3 (0.51) CCR3UTS2RDRD4SIGMAR1CACNA1G
SCHEMBL4673054 0.94 CCR3 (0.52) CCR3UTS2RDRD4SIGMAR1CACNA1G
SCHEMBL4672981 0.91 CCR3 (0.56) CCR3DRD4SIGMAR1CACNA1GBCHE
Hydrochloric Acid SCHEMBL4680340 0.90 CCR3 (0.55) CCR3DRD4SIGMAR1CACNA1GBCHE
SCHEMBL4673703 0.89 CCR3 (0.54) CCR3DRD4SIGMAR1CACNA1GBCHE
Hydrochloric Acid SCHEMBL4678072 0.89 CCR3 (0.54) CCR3DRD4SIGMAR1CACNA1GBCHE
SCHEMBL4673208 0.87 CCR3 (0.51) CCR3DRD4SIGMAR1CACNA1GBCHE
SCHEMBL4674096 0.85 CCR3 (0.57) CCR3DRD4SIGMAR1CACNA1GBCHE
SCHEMBL4673649 0.85 CCR3 (0.57) CCR3DRD4SIGMAR1CACNA1GBCHE
Hydrochloric Acid SCHEMBL4680263 0.85 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
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 claimed
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