SCHEMBL4674446

SCHEMBL4674446

CCOC(=O)C1CCN(C(=O)COc2cc(Cl)ccc2C(=O)NCCN2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)CC1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
KDM4E B2RXH2 1/20 0.56
KMT2A Q03164 3/20 0.55
MEN1 O00255 2/20 0.55
CCR3 P51677 1/20 0.48
MAPK1 P28482 1/20 0.45
F10 P00742 1/20 0.44
TSHR P16473 3/20 0.44
HRH3 Q9Y5N1 1/20 0.44
NPSR1 Q6W5P4 1/20 0.43
L3MBTL1 Q9Y468 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
SCHEMBL4676097 0.92 TSHR (0.50) ALDH1A1SMN1; SMN2KDM4EKMT2AMEN1
SCHEMBL4673655 0.87 CCR3 (0.54) ALDH1A1SMN1; SMN2KMT2ACCR3TSHR
SCHEMBL4674550 0.86 CCR3 (0.49) KMT2AMEN1CCR3HRH3
SCHEMBL4679788 0.86 CCR3 (0.54) ALDH1A1SMN1; SMN2KMT2ACCR3NPSR1
SCHEMBL4676806 0.86 CCR3 (0.53) ALDH1A1SMN1; SMN2KDM4EKMT2ACCR3
SCHEMBL4678302 0.85 CCR3 (0.52) ALDH1A1KMT2AMEN1CCR3
SCHEMBL4674120 0.84 CCR3 (0.51) KMT2ACCR3
SCHEMBL4677003 0.84 CCR3 (0.51) SMN1; SMN2CCR3MAPK1TSHRNPSR1
SCHEMBL4677131 0.82 EPHX2 (0.49) CCR3
SCHEMBL4673703 0.82 CCR3 (0.54) ALDH1A1SMN1; SMN2KDM4ECCR3

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 6 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
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