SCHEMBL18870519

SCHEMBL18870519

O=S(=O)(Oc1ccc(O)c2c1C1(CCC1)CC2)C(F)(F)F

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 11/20 0.33
DRD3 P35462 9/20 0.33
HTR1D P28221 2/20 0.33
DRD4 P21917 7/20 0.32
DRD1 P21728 5/20 0.32
DRD5 P21918 5/20 0.32
HTR5A P47898 1/20 0.32

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
SCHEMBL17019699 0.89 DRD2 (0.40) DRD2DRD3HTR1DDRD4DRD1
SCHEMBL17014435 0.87
SCHEMBL17019619 0.87 DRD2 (0.40) DRD2DRD3HTR1DDRD4DRD1
SCHEMBL17019663 0.84 DRD2 (0.40) DRD2DRD3HTR1DDRD4DRD1
SCHEMBL17014441 0.83 MEN1 (0.32) DRD2DRD3HTR1DDRD4DRD1
SCHEMBL17014436 0.82 DRD2 (0.33) DRD2DRD3HTR1DDRD4DRD1
SCHEMBL17014405 0.82 DRD2 (0.36) DRD2DRD3HTR1DDRD4DRD1
SCHEMBL17019626 0.81 HSD11B1 (0.36) DRD2DRD3HTR1DDRD4DRD1
SCHEMBL17014449 0.80 DRD2 (0.39) DRD2DRD3HTR1DDRD4DRD1
SCHEMBL17014326 0.77 DRD2 (0.39) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2900656-B1 SPIRO RING COMPOUNDS AS HEPATITIS C VIRUS (HCV) INHIBITORS SUNSHINE LAKE PHARMA CO LTD (CN) 2017-05-17 EP disclosed