SCHEMBL4674550

SCHEMBL4674550

O=C(NCCN1CCN(Cc2ccc(Cl)c(Cl)c2)CC1)c1ccc(Cl)cc1OCC(=O)N1CCC(CCO)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 2/20 0.49
SIGMAR1 Q99720 1/20 0.43
CCR1 P32246 1/20 0.43
CHRM4 P08173 1/20 0.41
ACHE P22303 3/20 0.41
BCHE P06276 2/20 0.41
CYP3A4 P08684 2/20 0.41
ABCB11 O95342 1/20 0.41
LMNA P02545 1/20 0.41
CYP1A2 P05177 1/20 0.41
ADRA2A P08913 1/20 0.41
CYP2D6 P10635 1/20 0.41
CHRM1 P11229 1/20 0.41
TBXA2R P21731 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
CYP2C19 P33261 1/20 0.41
ADRA1A P35348 1/20 0.41
OPRM1 P35372 1/20 0.41
DRD3 P35462 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
SCHEMBL4676806 0.90 CCR3 (0.53) CCR3SIGMAR1CCR1ACHEBCHE
SCHEMBL4673655 0.89 CCR3 (0.54) CCR3SIGMAR1CCR1ACHEBCHE
SCHEMBL4678302 0.88 CCR3 (0.52) CCR3CYP3A4ABCB11LMNACYP1A2
SCHEMBL4679788 0.87 CCR3 (0.54) CCR3SIGMAR1CCR1ACHEBCHE
SCHEMBL4674120 0.87 CCR3 (0.51) CCR3SIGMAR1CCR1ACHEBCHE
SCHEMBL4674446 0.86 ALDH1A1 (0.56) CCR3MEN1KMT2AHRH3
SCHEMBL4677131 0.86 EPHX2 (0.49) CCR3SIGMAR1ACHEBCHECACNA1G
SCHEMBL4677003 0.85 CCR3 (0.51) CCR3SIGMAR1CCR1ACHEBCHE
SCHEMBL4674096 0.84 CCR3 (0.57) CCR3SIGMAR1ACHEBCHECACNA1G
Hydrochloric Acid SCHEMBL4680263 0.83 CCR3 (0.56) CCR3SIGMAR1ACHEBCHECACNA1G

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 7 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-A1 PIPERAZINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY Astrazeneca UK Limited (GB) 2002-04-17 EP claimed
WO-2001002381-A1 PIPERAZINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY ASTRAZENECA UK LIMITED (GB) 2001-01-11 WO 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