SCHEMBL4673589

SCHEMBL4673589

CN(C)C(=O)COc1cc(Cl)ccc1C(=O)NCCN1CCN(Cc2ccc(F)cc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 1/20 0.46
BCHE P06276 4/20 0.46
ACHE P22303 4/20 0.46
FAAH O00519 3/20 0.45
CCR1 P32246 2/20 0.44
CCR3 P51677 1/20 0.44
MCHR1 Q99705 2/20 0.44

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
SCHEMBL4673344 0.94 ACHE (0.51) DRD4BCHEACHEFAAHCCR3
SCHEMBL4673239 0.92 DRD4 (0.47) DRD4BCHEACHEFAAHCCR3
SCHEMBL4674202 0.91 ACHE (0.56) DRD4BCHEACHEFAAHMCHR1
SCHEMBL4672981 0.90 CCR3 (0.56) DRD4BCHEACHEFAAHCCR3
Hydrochloric Acid SCHEMBL4680340 0.90 CCR3 (0.55) DRD4BCHEACHEFAAHCCR3
SCHEMBL4674864 0.90 DRD4 (0.45) DRD4BCHEACHEFAAHCCR3
SCHEMBL4673654 0.89 ACHE (0.50) DRD4BCHEACHEFAAHCCR3
SCHEMBL4675682 0.89 AKR1B1 (0.55) DRD4BCHEACHEFAAHCCR3
SCHEMBL7486233 0.88 AKR1B1 (0.44) DRD4BCHEACHEFAAH
SCHEMBL4674297 0.88 AKR1B1 (0.44) DRD4BCHEACHEFAAHMCHR1

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