SCHEMBL4674202

SCHEMBL4674202

CN(C)C(=O)COc1cc(Cl)ccc1C(=O)NCCN1CCN(Cc2ccccc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ACHE P22303 9/20 0.56
BCHE P06276 6/20 0.56
FAAH O00519 8/20 0.55
MCHR1 Q99705 1/20 0.53
MAPT P10636 1/20 0.48
DRD4 P21917 1/20 0.47
MEN1 O00255 1/20 0.47
GAA P10253 1/20 0.47
KMT2A Q03164 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
SCHEMBL4673654 0.95 ACHE (0.50) ACHEBCHEFAAHMCHR1DRD4
SCHEMBL4673344 0.94 ACHE (0.51) ACHEBCHEFAAHMCHR1DRD4
SCHEMBL4673867 0.94 ACHE (0.48) ACHEBCHEFAAHMCHR1MEN1
SCHEMBL4673239 0.92 DRD4 (0.47) ACHEBCHEFAAHMCHR1DRD4
SCHEMBL4673589 0.91 DRD4 (0.46) ACHEBCHEFAAHMCHR1DRD4
SCHEMBL4672981 0.90 CCR3 (0.56) ACHEBCHEFAAHMCHR1DRD4
SCHEMBL4674864 0.89 DRD4 (0.45) ACHEBCHEFAAHMCHR1MAPT
Hydrochloric Acid SCHEMBL4680340 0.89 CCR3 (0.55) ACHEBCHEFAAHMCHR1DRD4
SCHEMBL4674616 0.89 DRD4 (0.47) ACHEBCHEFAAHMCHR1DRD4
SCHEMBL4673409 0.89 ALDH1A1 (0.45) ACHEBCHEFAAHMEN1KMT2A

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 9 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
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