SCHEMBL7516461

SCHEMBL7516461

CCCNC1CCc2c(ccc(OCc3ccccc3)c2O)C1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 11/20 0.56
DRD3 P35462 9/20 0.56
DRD4 P21917 4/20 0.56
ADRA1D P25100 1/20 0.48
ADRA1A P35348 1/20 0.48
ADRA1B P35368 1/20 0.48
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
ACHE P22303 1/20 0.44
HTR1D P28221 1/20 0.43
HTR1B P28222 1/20 0.43
GRIN2B Q13224 1/20 0.43

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
SCHEMBL7516458 1.00 DRD2 (0.56) DRD2DRD3DRD4ADRA1DADRA1A
Hydrochloric Acid SCHEMBL7520024 0.99 DRD2 (0.55) DRD2DRD3DRD4ADRA1DADRA1A
Hydrochloric Acid SCHEMBL7520028 0.99 DRD2 (0.55) DRD2DRD3DRD4ADRA1DADRA1A
SCHEMBL8019711 0.88 DRD2 (0.55) DRD2DRD3DRD4HTR1DHTR1B
Hydrochloric Acid SCHEMBL7335560 0.87 DRD2 (0.54) DRD2DRD3DRD4HTR1DHTR1B
Hydrochloric Acid SCHEMBL7335562 0.87 DRD2 (0.54) DRD2DRD3DRD4HTR1DHTR1B
Hydrochloric Acid SCHEMBL7932123 0.84 DRD2 (0.51) DRD2DRD3DRD4CA1CA2
Hydrochloric Acid SCHEMBL7932125 0.84 DRD2 (0.51) DRD2DRD3DRD4CA1CA2
SCHEMBL7933887 0.83 DRD2 (0.69) DRD2DRD3DRD4ADRA1DADRA1A
SCHEMBL7933885 0.83 DRD2 (0.69) DRD2DRD3DRD4ADRA1DADRA1A

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