SCHEMBL5986597

SCHEMBL5986597

Cc1c(Cl)ccc(OC2CCN(CC(O)CN)CC2)c1Cl

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 16/20 0.54
HRH1 P35367 14/20 0.54
KCNH2 Q12809 4/20 0.54
DRD2 P14416 3/20 0.41
DRD4 P21917 3/20 0.41
DRD3 P35462 3/20 0.41
NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL1929113 1.00 CCR3 (0.54) CCR3HRH1KCNH2DRD2DRD4
SCHEMBL1929589 0.91 HRH1 (0.50) CCR3HRH1KCNH2DRD2DRD4
SCHEMBL1929992 0.86 HRH1 (0.59) CCR3HRH1KCNH2
SCHEMBL1930131 0.86 HRH1 (0.59) CCR3HRH1KCNH2
SCHEMBL3283811 0.83 HRH1 (0.60) CCR3HRH1KCNH2DRD2DRD4
SCHEMBL3283807 0.83 HRH1 (0.60) CCR3HRH1KCNH2DRD2DRD4
SCHEMBL5655748 0.82 CCR3 (0.47) CCR3HRH1KCNH2
SCHEMBL3285920 0.81 HRH1 (0.45) CCR3HRH1KCNH2DRD2DRD4
SCHEMBL6651383 0.81 HRH1 (0.45) CCR3HRH1KCNH2DRD2DRD4
SCHEMBL1928549 0.81 HRH1 (0.51) CCR3HRH1KCNH2DRD2DRD4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1713772-A1 NOVEL PIPERIDINES AS CHEMOKINE MODULATORS (CCR) AstraZeneca AB (SE) 2006-10-25 EP disclosed
WO-2005073192-A1 NOVEL PIPERIDINES AS CHEMOKINE MODULATORS (CCR) ASTRAZENECA AB (SE) 2005-08-11 WO disclosed