SCHEMBL9686506

SCHEMBL9686506

CC1CC=C(OS(=O)(=O)C(F)(F)F)C1

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 8/20 0.35
DRD3 P35462 6/20 0.35
HTR1D P28221 3/20 0.35
DRD4 P21917 3/20 0.32
DRD1 P21728 1/20 0.32
DRD5 P21918 1/20 0.32
HTR5A P47898 1/20 0.31

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
SCHEMBL5234275 0.83 DRD2 (0.34) DRD2DRD3HTR1DDRD4DRD1
SCHEMBL2752397 0.83 DRD2 (0.36) DRD2DRD3HTR1DDRD4DRD1
SCHEMBL18204592 0.80 DRD2 (0.32) DRD2DRD3HTR1D
SCHEMBL14295166 0.79 DRD2 (0.33) DRD2DRD3HTR1D
SCHEMBL25608459 0.79 DRD2 (0.38) DRD2DRD3HTR1D
SCHEMBL2691694 0.77 DRD2 (0.34) DRD2DRD3HTR1DDRD4DRD1
SCHEMBL12987411 0.77 DRD2 (0.32) DRD2DRD3HTR1DDRD4DRD1
SCHEMBL16679324 0.77 DRD2 (0.36) DRD2DRD3HTR1DDRD4DRD1
SCHEMBL15247505 0.76 DRD2 (0.33) DRD2DRD3HTR1DDRD4DRD1
SCHEMBL19813572 0.75 CXCR2 (0.34) DRD2DRD3HTR1D

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
CN-1059528-A The new carbocyclic analogs of some nucleosides MERRELL DOW PHARMA (US) 1992-03-18 CN disclosed
EP-0468866-A1 Novel carbocyclic analogs of certain nucleosides MERRELL DOW PHARMACEUTICALS INC. (US) 1992-01-29 EP disclosed
EP-0468119-A1 Novel carbocyclic analogs of certain nucleosides MERRELL DOW PHARMACEUTICALS INC. (US) 1992-01-29 EP disclosed