SCHEMBL28038474

SCHEMBL28038474

[CH]1CCN(c2nccc3occc23)CC1

nearest known ligand 0.69

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.69
PHGDH O43175 1/20 0.48
DRD2 P14416 9/20 0.45
HTR2A P28223 9/20 0.45
DRD3 P35462 9/20 0.45
NAMPT P43490 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
SCHEMBL15971536 0.86 HTR2C (0.73) HTR2CPHGDHDRD2HTR2ADRD3
SCHEMBL15971496 0.85 HTR2C (0.71) HTR2CPHGDHDRD2HTR2ADRD3
SCHEMBL4935508 0.83 HTR2C (0.69) HTR2CPHGDHDRD2HTR2ADRD3
SCHEMBL3679735 0.83 HTR2C (0.69) HTR2CPHGDHDRD2HTR2ADRD3
SCHEMBL1601087 0.83 HTR2C (0.69) HTR2CPHGDHDRD2HTR2ADRD3
SCHEMBL1026755 0.82 HTR2C (1.00) HTR2C
SCHEMBL30297584 0.82 HTR2C (1.00) HTR2C
SCHEMBL15971545 0.80 HTR2C (0.64) HTR2CPHGDHDRD2HTR2ADRD3
SCHEMBL15911226 0.79 DRD2 (0.66) DRD2HTR2ADRD3
SCHEMBL14983624 0.78 HTR2C (0.62) HTR2CPHGDHDRD2HTR2ADRD3

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-105143227-A Substituted imidazo [1,2-B ] pyridazines as MKNK1 inhibitors Bayer Pharma AG 2015-12-09 CN disclosed