SCHEMBL8326776

SCHEMBL8326776

CCOC(=O)CC1CCc2c(cccc2OS(=O)(=O)C(F)(F)F)C1

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 8/20 0.51
DRD3 P35462 7/20 0.51
HTR1D P28221 2/20 0.51
DRD4 P21917 4/20 0.46
HTR5A P47898 1/20 0.46
DRD1 P21728 2/20 0.44
DRD5 P21918 2/20 0.44
PTGIR P43119 5/20 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
SCHEMBL8328043 0.80 CYP19A1 (0.50) DRD2DRD3DRD4DRD1DRD5
SCHEMBL20573750 0.75 S1PR5 (0.53) DRD2DRD3HTR1DDRD4DRD1
SCHEMBL9005649 0.74 PTGIR (0.54) PTGIR
SCHEMBL8410725 0.74 CHRM2 (0.61) DRD2DRD3DRD4
SCHEMBL3316599 0.74 DRD2 (0.62) DRD2DRD3HTR1DDRD4
SCHEMBL3316605 0.74 DRD2 (0.62) DRD2DRD3HTR1DDRD4
SCHEMBL3320908 0.74 DRD2 (0.62) DRD2DRD3HTR1DDRD4
SCHEMBL2256731 0.73 CYP11B1 (0.33) DRD2DRD3HTR1DDRD4DRD1
SCHEMBL17390264 0.73 CYP11B1 (0.33) DRD2DRD3HTR1DDRD4DRD1
SCHEMBL22071078 0.72 DRD2 (0.46) DRD2DRD3HTR1DDRD4HTR5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0869787-A4 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 1999-03-24 EP disclosed
EP-0869787-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1998-10-14 EP disclosed
WO-1997024119-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1997-07-10 WO disclosed