SCHEMBL4674096

SCHEMBL4674096

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

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 1/20 0.57
AKR1B1 P15121 4/20 0.53
ACHE P22303 4/20 0.50
BCHE P06276 2/20 0.50
SIGMAR1 Q99720 1/20 0.50
FAAH O00519 3/20 0.49
AKR1B10 O60218 1/20 0.49
CACNA1G O43497 1/20 0.48
DRD4 P21917 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
Hydrochloric Acid SCHEMBL4680263 0.99 CCR3 (0.56) CCR3AKR1B1ACHEBCHESIGMAR1
SCHEMBL4674893 0.94 ACHE (0.53) CCR3AKR1B1ACHEBCHESIGMAR1
SCHEMBL4676719 0.92 CCR3 (0.56) CCR3AKR1B1ACHEBCHESIGMAR1
SCHEMBL4673649 0.90 CCR3 (0.57) CCR3ACHEBCHESIGMAR1FAAH
SCHEMBL4672981 0.89 CCR3 (0.56) CCR3AKR1B1ACHEBCHESIGMAR1
SCHEMBL4673655 0.89 CCR3 (0.54) CCR3ACHEBCHESIGMAR1FAAH
SCHEMBL4674198 0.89 CCR3 (0.56) CCR3ACHEBCHESIGMAR1FAAH
SCHEMBL4676806 0.88 CCR3 (0.53) CCR3ACHEBCHESIGMAR1FAAH
Hydrochloric Acid SCHEMBL4680340 0.88 CCR3 (0.55) CCR3AKR1B1ACHEBCHESIGMAR1
SCHEMBL4673840 0.88 CCR3 (0.56) CCR3ACHEBCHEFAAHCACNA1G

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 5 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
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