SCHEMBL4674277

SCHEMBL4674277

CN(C)C(=O)COc1cc(Cl)ccc1C(=O)NCCN1CCN(Cc2cccc(Cl)c2Cl)CC1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BCHE P06276 2/20 0.44
ACHE P22303 2/20 0.44
FAAH O00519 1/20 0.44
DRD3 P35462 4/20 0.43
DRD4 P21917 4/20 0.42
HTR2A P28223 6/20 0.42
HTR2C P28335 6/20 0.42
SLC6A4 P31645 6/20 0.42
KCNH2 Q12809 2/20 0.42
DRD2 P14416 1/20 0.42
HTT P42858 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
SCHEMBL4673654 0.87 ACHE (0.50) BCHEACHEFAAHDRD4
SCHEMBL4674202 0.87 ACHE (0.56) BCHEACHEFAAHDRD4
SCHEMBL4673344 0.87 ACHE (0.51) BCHEACHEFAAHDRD4
SCHEMBL4674297 0.85 AKR1B1 (0.44) BCHEACHEFAAHDRD4
SCHEMBL4675700 0.85 AKR1B1 (0.43) BCHEACHEFAAHDRD4
SCHEMBL4672981 0.84 CCR3 (0.56) BCHEACHEFAAHDRD4HTT
SCHEMBL4673239 0.84 DRD4 (0.47) BCHEACHEFAAHDRD4
Hydrochloric Acid SCHEMBL4680340 0.84 CCR3 (0.55) BCHEACHEFAAHDRD4HTT
SCHEMBL4673589 0.83 DRD4 (0.46) BCHEACHEFAAHDRD4
SCHEMBL4673409 0.83 ALDH1A1 (0.45) BCHEACHEFAAH

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