SCHEMBL28556405

SCHEMBL28556405

c1c[nH]c(CCCN2CCCC2)c1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 6/20 0.49
HRH3 Q9Y5N1 6/20 0.49
HRH1 P35367 3/20 0.47
LTA4H P09960 1/20 0.47
SIGMAR1 Q99720 5/20 0.46
SLC6A3 Q01959 2/20 0.45
DRD2 P14416 2/20 0.45
SLC6A4 P31645 1/20 0.45
DRD4 P21917 1/20 0.41
DRD3 P35462 1/20 0.41
MPO P05164 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
SCHEMBL28550858 0.86 SIGMAR1 (0.50) HRH3SIGMAR1DRD2DRD4DRD3
SCHEMBL7682702 0.77 DRD2 (0.64) HRH4HRH3DRD2DRD4DRD3
SCHEMBL7003873 0.76 GPR84 (0.41) HRH3DRD2DRD4DRD3
SCHEMBL28770942 0.76 DRD2 (0.62) HRH4HRH3DRD2DRD4DRD3
SCHEMBL8106008 0.75 HTR1A (0.59) HRH3HRH1SIGMAR1DRD2DRD4
SCHEMBL8955030 0.74 GPR84 (0.44) HRH3HRH1DRD2DRD4DRD3
SCHEMBL6670121 0.71 HRH3 (0.53) HRH3HRH1
SCHEMBL18926549 0.71 LTA4H (0.59) HRH3HRH1LTA4HSIGMAR1SLC6A3
SCHEMBL18917604 0.70 LTA4H (0.75) HRH3HRH1LTA4HSIGMAR1SLC6A3
SCHEMBL5302082 0.69 LTA4H (0.86) HRH3LTA4HSIGMAR1SLC6A3

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-108853102-B Condensed acridine derivatives acting on Dectin-1 and uses thereof 北京大学 2021-04-09 CN disclosed