SCHEMBL22148381

SCHEMBL22148381

C=CC1CCc2ncccc2C1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.52
DRD3 P35462 1/20 0.52
GRIN1 Q05586 4/20 0.40
GRIN2B Q13224 4/20 0.40
HDAC1 Q13547 2/20 0.37
HDAC8 Q9BY41 2/20 0.37
HDAC6 Q9UBN7 2/20 0.37
CYP2D6 P10635 2/20 0.34
IDH1 O75874 4/20 0.33
CYP19A1 P11511 1/20 0.33

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
SCHEMBL4597831 0.83 DRD2 (0.52) DRD2DRD3GRIN1GRIN2BHDAC1
SCHEMBL5051400 0.75 PLAU (0.55) DRD2DRD3GRIN1GRIN2B
SCHEMBL8267166 0.75 DRD2 (0.55) DRD2DRD3GRIN1GRIN2BHDAC1
SCHEMBL29668981 0.75 PLAU (0.55) DRD2DRD3GRIN1GRIN2B
SCHEMBL12891735 0.75 DRD2 (0.55) DRD2DRD3GRIN1GRIN2BHDAC1
SCHEMBL14819902 0.75 DRD2 (0.51) DRD2DRD3GRIN1GRIN2BHDAC1
SCHEMBL1266027 0.75 PLAU (0.55) DRD2DRD3GRIN1GRIN2B
SCHEMBL22791667 0.75 DRD2 (0.51) DRD2DRD3GRIN1GRIN2BHDAC1
SCHEMBL12891728 0.75 DRD2 (0.55) DRD2DRD3GRIN1GRIN2BHDAC1
SCHEMBL16595227 0.71 DRD2 (0.41) DRD2DRD3GRIN1GRIN2BCYP2D6

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
WO-2020132661-A2 INHIBITORS OF FIBROBLAST ACTIVATION PROTEIN Praxis Biotech LLC (US) 2020-06-25 WO disclosed