SCHEMBL5686604

SCHEMBL5686604

CCCC1CCC2c3ccc(OS(=O)(=O)C(F)(F)F)cc3CCC2C1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 9/20 0.47
DRD3 P35462 8/20 0.47
HTR1D P28221 3/20 0.47
DRD4 P21917 5/20 0.39
DRD1 P21728 3/20 0.39
DRD5 P21918 3/20 0.39
AKR1C3 P42330 1/20 0.38
HTR5A P47898 1/20 0.36

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
SCHEMBL5686598 1.00 DRD2 (0.47) DRD2DRD3HTR1DDRD4DRD1
SCHEMBL5683353 0.83 SRD5A1 (0.44) DRD2DRD3DRD4
SCHEMBL5683349 0.83 SRD5A1 (0.44) DRD2DRD3DRD4
SCHEMBL5684920 0.80 PPIB (0.40)
SCHEMBL5684916 0.80 PPIB (0.40)
SCHEMBL5686345 0.78 DRD2 (0.46) DRD2DRD3HTR1DAKR1C3
SCHEMBL5686342 0.78 DRD2 (0.46) DRD2DRD3HTR1DAKR1C3
SCHEMBL5684668 0.78 PPARA (0.37) AKR1C3
SCHEMBL5684671 0.78 PPARA (0.37) AKR1C3
SCHEMBL6158884 0.76 DRD2 (0.58) DRD2DRD3HTR1DDRD4DRD1

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
US-7067179-B1 Fused ring compound DAINIPPON INK AND CHEMICALS, INC. (JP) 2006-06-27 US disclosed
EP-1201632-B1 FUSED RING COMPOUND DAINIPPON INK & CHEMICALS (JP) 2006-03-29 EP disclosed
EP-1201632-A1 FUSED RING COMPOUND DAINIPPON INK AND CHEMICALS, INC. (JP) 2002-05-02 EP disclosed