SCHEMBL28823593

SCHEMBL28823593

COc1ccc(C(=O)C2CCN(CCCCNC(=O)c3ccccc3)CC2)c(OC)c1

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 2/20 0.61
DRD2 P14416 9/20 0.57
DRD4 P21917 5/20 0.57
DRD3 P35462 5/20 0.57
SLC6A2 P23975 1/20 0.55
SLC6A4 P31645 1/20 0.55
GSK3B P49841 1/20 0.53
LMNA P02545 1/20 0.52
KCNH2 Q12809 1/20 0.52
NAMPT P43490 1/20 0.51

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
SCHEMBL3117801 0.86 DRD2 (0.51) CCR3DRD2DRD4DRD3
SCHEMBL7055272 0.77 CCR3 (0.68) CCR3DRD2DRD4DRD3SLC6A2
SCHEMBL4521840 0.75 DRD4 (0.77) DRD2DRD4DRD3
SCHEMBL5471204 0.75 CCR3 (0.72) CCR3KCNH2
SCHEMBL9116554 0.74 KCNH2 (0.55) DRD4KCNH2
SCHEMBL7391450 0.74 HTR4 (0.69) DRD2DRD4DRD3
SCHEMBL7132544 0.73 DRD2 (0.74) CCR3DRD2DRD4DRD3
SCHEMBL7392255 0.73 HTR4 (0.68) DRD2DRD4DRD3
SCHEMBL7381329 0.73 HTR4 (0.68) DRD2DRD4DRD3
SCHEMBL14761722 0.73 DRD2 (1.00) DRD2DRD4DRD3SLC6A2SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104987326-A Mass labels for biomolecules containing a 2,6-dimethyl-piperidin-L-YL methylene or a pyrimidin-2-YL thiomethylene mass marker moiety and a succinimid-oxy-carbonyl reactive functional group ELECTROPHORETICS LTD 2015-10-21 CN disclosed