SCHEMBL4673344

SCHEMBL4673344

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

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ACHE P22303 5/20 0.51
BCHE P06276 2/20 0.51
DRD4 P21917 1/20 0.51
FAAH O00519 4/20 0.48
CCR3 P51677 1/20 0.46
MCHR1 Q99705 2/20 0.46
AKR1B1 P15121 1/20 0.45
LMNA P02545 1/20 0.44
KDM4E B2RXH2 1/20 0.43

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
SCHEMBL4673239 0.95 DRD4 (0.47) ACHEBCHEDRD4FAAHCCR3
SCHEMBL4673589 0.94 DRD4 (0.46) ACHEBCHEDRD4FAAHCCR3
SCHEMBL4674202 0.94 ACHE (0.56) ACHEBCHEDRD4FAAHMCHR1
SCHEMBL4672981 0.94 CCR3 (0.56) ACHEBCHEDRD4FAAHCCR3
SCHEMBL7486233 0.93 AKR1B1 (0.44) ACHEBCHEDRD4FAAHAKR1B1
Hydrochloric Acid SCHEMBL4680340 0.93 CCR3 (0.55) ACHEBCHEDRD4FAAHCCR3
SCHEMBL4674864 0.93 DRD4 (0.45) ACHEBCHEDRD4FAAHCCR3
SCHEMBL4673654 0.93 ACHE (0.50) ACHEBCHEDRD4FAAHCCR3
SCHEMBL4675682 0.92 AKR1B1 (0.55) ACHEBCHEDRD4FAAHCCR3
SCHEMBL4673409 0.89 ALDH1A1 (0.45) ACHEBCHEFAAHAKR1B1LMNA

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