SCHEMBL7923925

SCHEMBL7923925

CCCN(C(=O)OC(C)(C)C)[C@H]1CCc2c(ccc(OCc3ccccc3)c2OS(=O)(=O)C(F)(F)F)C1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 7/20 0.43
DRD3 P35462 6/20 0.43
HTR1D P28221 1/20 0.43
DRD4 P21917 2/20 0.39
TRPM8 Q7Z2W7 1/20 0.38
DRD1 P21728 3/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
TSHR P16473 1/20 0.38
NFKB1 P19838 1/20 0.38
THPO P40225 1/20 0.38

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
SCHEMBL7533056 0.90 DRD2 (0.44) DRD2DRD3DRD4TRPM8DRD1
SCHEMBL7533054 0.90 DRD2 (0.44) DRD2DRD3DRD4TRPM8DRD1
SCHEMBL7933904 0.85 DRD2 (0.43) DRD2DRD3DRD4TRPM8DRD1
SCHEMBL7513668 0.77 DRD2 (0.43) DRD2DRD3DRD4TRPM8DRD1
SCHEMBL7513671 0.77 DRD2 (0.43) DRD2DRD3DRD4TRPM8DRD1
SCHEMBL10043014 0.76 DRD2 (0.51) DRD2DRD3HTR1DDRD4
SCHEMBL10043006 0.76 DRD2 (0.51) DRD2DRD3HTR1DDRD4
SCHEMBL22005149 0.76 DRD2 (0.47) DRD2DRD3DRD4DRD1
SCHEMBL7932117 0.76 DRD3 (0.43) DRD2DRD3HTR1DDRD4
SCHEMBL7338346 0.75 DRD2 (0.45) DRD2DRD3DRD4TRPM8DRD1

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
US-6232348-B1 AGONISTS OF THE DOPAMINERGIC RECEPTORS MORE POTENT THAN DOPAMINE AND OTHER KNOWN COMPOUNDS, DEPRIVED OF INTERACTION WITH OTHER RECEPTORS AND ORALLY BIOAVAILABLE WITH A LONG TERM OF ACTION ZAMBON GROUP S.P.A. (IT) 2001-05-15 US disclosed