SCHEMBL7513668

SCHEMBL7513668

CCCN(C(=O)C(F)(F)F)[C@H]1CCc2c(ccc(OCc3ccccc3)c2O)C1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 11/20 0.43
DRD1 P21728 5/20 0.43
DRD3 P35462 6/20 0.43
TRPM8 Q7Z2W7 1/20 0.43
DRD4 P21917 3/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
TSHR P16473 1/20 0.43
NFKB1 P19838 1/20 0.43
THPO P40225 1/20 0.43
LMNA P02545 1/20 0.42
PMP22 Q01453 1/20 0.42
ADRA1D P25100 4/20 0.41
ADRA1A P35348 4/20 0.41
ADRA1B P35368 4/20 0.41
HTR1A P08908 1/20 0.39
DRD5 P21918 1/20 0.39
HTR7 P34969 1/20 0.39

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
SCHEMBL7513671 1.00 DRD2 (0.43) DRD2DRD1DRD3TRPM8DRD4
SCHEMBL7933904 0.88 DRD2 (0.43) DRD2DRD1DRD3TRPM8DRD4
SCHEMBL7521679 0.84 DRD2 (0.62) DRD2DRD1DRD3DRD4CYP1A2
SCHEMBL7521684 0.84 DRD2 (0.62) DRD2DRD1DRD3DRD4CYP1A2
Hydrochloric Acid SCHEMBL7516152 0.83 DRD2 (0.61) DRD2DRD1DRD3DRD4CYP1A2
Hydrochloric Acid SCHEMBL7516146 0.83 DRD2 (0.61) DRD2DRD1DRD3DRD4CYP1A2
SCHEMBL9503568 0.82 DRD2 (0.41) DRD2DRD1DRD3TRPM8DRD4
SCHEMBL7533056 0.79 DRD2 (0.44) DRD2DRD1DRD3TRPM8DRD4
SCHEMBL7533054 0.79 DRD2 (0.44) DRD2DRD1DRD3TRPM8DRD4
SCHEMBL22703544 0.78 DRD2 (0.49) DRD2DRD1DRD3DRD4CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0970042-B1 5-HYDROXYMETHYL-2-AMINOTETRALINS AS CARDIOVASCULAR AGENTS ZAMBON SPA (IT) 2002-01-09 EP disclosed
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
US-6063964-A 5-hydroxymethyl-2-aminotetralins as cardiovascular agents ZAMBON GROUP S.P.A. (IT) 2000-05-16 US disclosed
EP-0970042-A1 5-HYDROXYMETHYL-2-AMINOTETRALINS AS CARDIOVASCULAR AGENTS ZAMBON GROUP S.p.A. (IT) 2000-01-12 EP disclosed
EP-0966423-A1 HYDROXYMETHYL DERIVATIVES OF 2-AMINO-1,2,3,4-TETRAHYDRONAPHTHALENE AS CARDIOVASCULAR AGENT ZAMBON GROUP S.p.A. (IT) 1999-12-29 EP disclosed
WO-1998038154-A1 HYDROXYMETHYL DERIVATIVES OF 2-AMINO-1,2,3,4-TETRAHYDRONAPHTHALENE AS CARDIOVASCULAR AGENT ZAMBON GROUP S.P.A. (IT) 1998-09-03 WO disclosed
WO-1998038155-A1 5-HYDROXYMETHYL-2-AMINOTETRALINS AS CARDIOVASCULAR AGENTS ZAMBON GROUP S.P.A. (IT) 1998-09-03 WO disclosed