SCHEMBL17082802

SCHEMBL17082802

O=C(COC(=O)[C@@H]1CCCN1)c1ccc(OS(=O)(=O)C(F)(F)F)c2c1CC1(CCCC1)C2

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.31
DRD2 P14416 1/20 0.30
DRD4 P21917 1/20 0.30
DRD3 P35462 1/20 0.30
HTR5A P47898 1/20 0.30

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
SCHEMBL18071526 0.91 HTR2C (0.32) HTR2CDRD2DRD4DRD3HTR5A
SCHEMBL18071562 0.86 DRD2 (0.34) HTR2CDRD2DRD4DRD3HTR5A
SCHEMBL15746360 0.86 CASP3 (0.40) DRD2DRD4DRD3HTR5A
SCHEMBL15692902 0.77 HPGDS (0.33) DRD2DRD4DRD3HTR5A
SCHEMBL15692818 0.77 ALDH1A1 (0.32)
SCHEMBL15692943 0.76 ALDH1A1 (0.32)
SCHEMBL15692822 0.75 HSD11B1 (0.37) DRD2DRD4DRD3HTR5A
SCHEMBL15692814 0.74 DRD2 (0.35) DRD2DRD4DRD3HTR5A
SCHEMBL15692789 0.73 DRD2 (0.34) DRD2DRD4DRD3HTR5A
SCHEMBL15773416 0.70 DRD2 (0.33) DRD2DRD4DRD3HTR5A

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-2730572-B1 SPIRO COMPOUNDS AS HEPATITIS C VIRUS INHIBITORS SUNSHINE LAKE PHARMA CO LTD (CN) 2015-09-16 EP disclosed