SCHEMBL4675700

SCHEMBL4675700

CN(C)C(=O)COc1cc(Cl)ccc1C(=O)NCCN1CCN(Cc2ccc(F)c(F)c2F)CC1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 3/20 0.43
EPHX2 P34913 2/20 0.41
GPR6 P46095 1/20 0.40
BCHE P06276 2/20 0.40
ACHE P22303 2/20 0.40
FAAH O00519 1/20 0.40
LMNA P02545 1/20 0.40
CYP2C19 P33261 2/20 0.39
F10 P00742 1/20 0.39
MCHR1 Q99705 1/20 0.39
DRD4 P21917 1/20 0.39
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
KMT2A Q03164 1/20 0.38
MGLL Q99685 1/20 0.38

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
SCHEMBL4674297 0.91 AKR1B1 (0.44) AKR1B1EPHX2BCHEACHEFAAH
SCHEMBL4673589 0.87 DRD4 (0.46) BCHEACHEFAAHMCHR1DRD4
SCHEMBL4673344 0.87 ACHE (0.51) AKR1B1BCHEACHEFAAHLMNA
SCHEMBL4674202 0.85 ACHE (0.56) BCHEACHEFAAHMCHR1DRD4
SCHEMBL4674277 0.85 BCHE (0.44) BCHEACHEFAAHDRD4
SCHEMBL4673239 0.84 DRD4 (0.47) AKR1B1BCHEACHEFAAHLMNA
SCHEMBL4673654 0.83 ACHE (0.50) BCHEACHEFAAHMCHR1DRD4
SCHEMBL4673409 0.83 ALDH1A1 (0.45) AKR1B1BCHEACHEFAAHLMNA
SCHEMBL4672981 0.83 CCR3 (0.56) AKR1B1BCHEACHEFAAHLMNA
SCHEMBL7486233 0.82 AKR1B1 (0.44) AKR1B1BCHEACHEFAAHLMNA

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