SCHEMBL4677003

SCHEMBL4677003

CN1CCCN(C(=O)COc2cc(Cl)ccc2C(=O)NCCN2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.46
MAPT P10636 1/20 0.46
ALOX12 P18054 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
CCR1 P32246 1/20 0.45
LMNA P02545 2/20 0.45
HTT P42858 2/20 0.45
GAA P10253 2/20 0.45
MAPK1 P28482 1/20 0.45
CYP3A4 P08684 2/20 0.43
ABCB11 O95342 1/20 0.43
CYP1A2 P05177 1/20 0.43
ADRA2A P08913 1/20 0.43
CYP2D6 P10635 1/20 0.43
CHRM1 P11229 1/20 0.43
TBXA2R P21731 1/20 0.43
SLC6A2 P23975 1/20 0.43
SLC6A4 P31645 1/20 0.43
CYP2C19 P33261 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
SCHEMBL4673655 0.94 CCR3 (0.54) CCR3SMN1; SMN2MAPTALOX12NPSR1
SCHEMBL4784810 0.91 SMN1; SMN2 (0.46) CCR3SMN1; SMN2MAPTALOX12NPSR1
SCHEMBL4679788 0.91 CCR3 (0.54) CCR3SMN1; SMN2MAPTALOX12NPSR1
SCHEMBL4676806 0.91 CCR3 (0.53) CCR3SMN1; SMN2MAPTALOX12NPSR1
SCHEMBL4678302 0.89 CCR3 (0.52) CCR3LMNAHTTCYP3A4ABCB11
SCHEMBL4674120 0.88 CCR3 (0.51) CCR3CCR1LMNAHTTCYP3A4
SCHEMBL4677131 0.85 EPHX2 (0.49) CCR3SIGMAR1CACNA1GBCHEACHE
SCHEMBL4674550 0.85 CCR3 (0.49) CCR3CCR1LMNACYP3A4ABCB11
SCHEMBL4674096 0.85 CCR3 (0.57) CCR3SIGMAR1DRD4CACNA1GBCHE
SCHEMBL4673649 0.84 CCR3 (0.57) CCR3SIGMAR1DRD4CACNA1GBCHE

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 4 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