SCHEMBL4673476

SCHEMBL4673476

CCC(CO)NC(=O)COc1cc(Cl)ccc1C(=O)NCCN1CCN(Cc2ccc(Cl)c(Cl)c2)CC1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 1/20 0.51
ACHE P22303 7/20 0.45
BCHE P06276 3/20 0.45
FAAH O00519 5/20 0.44
CACNA1G O43497 1/20 0.43
DRD4 P21917 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
CCR2 P41597 1/20 0.40
MCHR1 Q99705 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
SCHEMBL4674212 0.95 CCR3 (0.51) CCR3ACHEBCHEFAAHCACNA1G
SCHEMBL4677289 0.91 CCR3 (0.52) CCR3ACHEBCHEFAAHCACNA1G
SCHEMBL4678024 0.87 CCR3 (0.52) CCR3ACHEBCHEFAAHCACNA1G
SCHEMBL4673649 0.87 CCR3 (0.57) CCR3ACHEBCHEFAAHCACNA1G
SCHEMBL4676719 0.85 CCR3 (0.56) CCR3ACHEBCHEFAAHCACNA1G
SCHEMBL4673840 0.85 CCR3 (0.56) CCR3ACHEBCHEFAAHCACNA1G
SCHEMBL4673204 0.84 CCR3 (0.52) CCR3ACHEBCHEFAAHCACNA1G
SCHEMBL4674096 0.84 CCR3 (0.57) CCR3ACHEBCHEFAAHCACNA1G
SCHEMBL4673007 0.84 CCR3 (0.54) CCR3ACHEBCHEFAAHCACNA1G
SCHEMBL4674198 0.84 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 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-1951673-A2 HETEROCYCLIC CETP INHIBITORS Bristol-Myers Squibb Company (US) 2008-08-06 EP disclosed
EP-1196404-B1 PIPERAZINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY ASTRAZENECA UK LTD (GB) 2008-01-23 EP disclosed
WO-2007062314-A2 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-05-31 WO 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