SCHEMBL8552008

SCHEMBL8552008

C[CH]C1CCc2cccnc2C1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.42
DRD3 P35462 1/20 0.42
GRIN1 Q05586 4/20 0.42
GRIN2B Q13224 4/20 0.42
CYP2D6 P10635 3/20 0.36
IDH1 O75874 4/20 0.33
CYP19A1 P11511 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
HTR2B P41595 1/20 0.33
DRD1 P21728 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
SCHEMBL26121979 0.83 DRD2 (0.39) DRD2DRD3GRIN1GRIN2BCYP2D6
SCHEMBL12891739 0.79 DRD2 (0.44) DRD2DRD3GRIN1GRIN2BCYP2D6
SCHEMBL30666578 0.79 DRD2 (0.44) DRD2DRD3GRIN1GRIN2BCYP2D6
SCHEMBL10016895 0.79 DRD2 (0.44) DRD2DRD3GRIN1GRIN2BCYP2D6
SCHEMBL12891737 0.79 DRD2 (0.44) DRD2DRD3GRIN1GRIN2BCYP2D6
SCHEMBL8783210 0.76 DRD2 (0.52) DRD2DRD3GRIN1GRIN2BCYP2D6
SCHEMBL27408547 0.75 DRD2 (0.41) DRD2DRD3GRIN1GRIN2BCYP2D6
SCHEMBL31179584 0.75 DRD2 (0.44) DRD2DRD3GRIN1GRIN2BCYP2D6
SCHEMBL30279709 0.75 PLAU (0.55) DRD2DRD3GRIN1GRIN2B
SCHEMBL3310824 0.75 PLAU (0.55) DRD2DRD3GRIN1GRIN2B

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
EP-0885890-A1 SULFONYLUREIDOPYRAZOLE DERIVATIVES SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1998-12-23 EP disclosed