SCHEMBL4674893

SCHEMBL4674893

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

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ACHE P22303 7/20 0.53
BCHE P06276 4/20 0.53
CCR3 P51677 1/20 0.53
FAAH O00519 6/20 0.52
AKR1B1 P15121 2/20 0.47
SIGMAR1 Q99720 1/20 0.47
CACNA1G O43497 1/20 0.47

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
SCHEMBL4674096 0.94 CCR3 (0.57) ACHEBCHECCR3FAAHAKR1B1
Hydrochloric Acid SCHEMBL4680263 0.93 CCR3 (0.56) ACHEBCHECCR3FAAHAKR1B1
SCHEMBL4674198 0.92 CCR3 (0.56) ACHEBCHECCR3FAAHSIGMAR1
SCHEMBL4673649 0.90 CCR3 (0.57) ACHEBCHECCR3FAAHSIGMAR1
SCHEMBL4673840 0.89 CCR3 (0.56) ACHEBCHECCR3FAAHCACNA1G
SCHEMBL4673007 0.88 CCR3 (0.54) ACHEBCHECCR3FAAHSIGMAR1
SCHEMBL4676719 0.88 CCR3 (0.56) ACHEBCHECCR3FAAHAKR1B1
SCHEMBL4678024 0.87 CCR3 (0.52) ACHEBCHECCR3FAAHSIGMAR1
SCHEMBL4674212 0.86 CCR3 (0.51) ACHEBCHECCR3FAAHSIGMAR1
SCHEMBL4673655 0.85 CCR3 (0.54) ACHEBCHECCR3FAAHSIGMAR1

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