SCHEMBL4676097

SCHEMBL4676097

CCOC(=O)C1CCCN(C(=O)COc2cc(Cl)ccc2C(=O)NCCN2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)C1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.50
ALDH1A1 P00352 5/20 0.49
POLB P06746 2/20 0.49
KDM4E B2RXH2 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
MAPK1 P28482 1/20 0.48
CCR3 P51677 1/20 0.46
MAPT P10636 2/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
LMNA P02545 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
HRH3 Q9Y5N1 1/20 0.42

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
SCHEMBL4674446 0.92 ALDH1A1 (0.56) TSHRALDH1A1KDM4ESMN1; SMN2MAPK1
SCHEMBL4677131 0.87 EPHX2 (0.49) CCR3
SCHEMBL4673655 0.86 CCR3 (0.54) TSHRALDH1A1POLBSMN1; SMN2CCR3
SCHEMBL4677003 0.83 CCR3 (0.51) TSHRPOLBSMN1; SMN2MAPK1CCR3
SCHEMBL4679788 0.82 CCR3 (0.54) ALDH1A1POLBSMN1; SMN2CCR3MAPT
SCHEMBL4676806 0.82 CCR3 (0.53) ALDH1A1KDM4ESMN1; SMN2CCR3MAPT
SCHEMBL4678302 0.81 CCR3 (0.52) ALDH1A1POLBCCR3MEN1KMT2A
SCHEMBL4674550 0.81 CCR3 (0.49) CCR3MEN1KMT2ALMNAHRH3
SCHEMBL14303252 0.81 EPHX2 (0.42) ALDH1A1CCR3LMNA
SCHEMBL4674120 0.81 CCR3 (0.51) CCR3KMT2ALMNA

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
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
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