SCHEMBL3655158

SCHEMBL3655158

O=C(O)N1CC2OCc3ccc(OS(=O)(=O)C(F)(F)F)cc3C2C1

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.38
DRD2 P14416 12/20 0.34
DRD3 P35462 12/20 0.34
HTR1D P28221 1/20 0.34
DRD4 P21917 5/20 0.34
CHRM1 P11229 2/20 0.34
DRD1 P21728 3/20 0.33
DRD5 P21918 3/20 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
SCHEMBL3655498 0.92 HSD11B1 (0.37) HSD11B1DRD2DRD3HTR1DDRD4
SCHEMBL3032651 0.88 RORC (0.42) HSD11B1DRD2DRD3HTR1DDRD4
SCHEMBL3032654 0.88 RORC (0.42) HSD11B1DRD2DRD3HTR1DDRD4
SCHEMBL3023551 0.81 HSD11B1 (0.31) HSD11B1DRD2DRD3DRD4DRD1
SCHEMBL3024960 0.81 RORC (0.43) HSD11B1DRD2DRD3DRD4DRD1
SCHEMBL3024958 0.81 RORC (0.43) HSD11B1DRD2DRD3DRD4DRD1
SCHEMBL3023879 0.78 CYP2D6 (0.36) DRD1
SCHEMBL3020753 0.77 DRD2 (0.48) DRD2DRD3HTR1DDRD4DRD1
SCHEMBL3653345 0.73 HSD11B1 (0.35) HSD11B1
SCHEMBL8068746 0.72 DPP4 (0.35) DRD2DRD3DRD4DRD1DRD5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2203454-A1 TRICYCLIC HETEROCYCLIC DERIVATIVES N.V. Organon (NL) 2010-07-07 EP disclosed
WO-2009037220-A1 TRICYCLIC HETEROCYCLIC DERIVATIVES N.V. ORGANON (NL) 2009-03-26 WO disclosed