SCHEMBL7340632

SCHEMBL7340632

CCCN(CCCCCCNCCc1ccc2[nH]c(=O)sc2c1)[C@H]1CCc2c(ccc(O)c2O)C1

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 5/20 0.55
ADRA1A P35348 5/20 0.55
ADRA1B P35368 5/20 0.55
DRD2 P14416 7/20 0.52
DRD1 P21728 1/20 0.52
DRD3 P35462 5/20 0.50

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
SCHEMBL7342741 1.00 ADRA1D (0.55) ADRA1DADRA1AADRA1BDRD2DRD1
SCHEMBL7342023 1.00 ADRA1D (0.55) ADRA1DADRA1AADRA1BDRD2DRD1
SCHEMBL7342744 1.00 ADRA1D (0.55) ADRA1DADRA1AADRA1BDRD2DRD1
SCHEMBL7342016 1.00 ADRA1D (0.55) ADRA1DADRA1AADRA1BDRD2DRD1
SCHEMBL7340636 1.00 ADRA1D (0.55) ADRA1DADRA1AADRA1BDRD2DRD1
Bromide SCHEMBL7800105 0.99 ADRA1D (0.54) ADRA1DADRA1AADRA1BDRD2DRD1
Bromide SCHEMBL7338244 0.99 ADRA1D (0.54) ADRA1DADRA1AADRA1BDRD2DRD1
Bromide SCHEMBL7790671 0.99 ADRA1D (0.54) ADRA1DADRA1AADRA1BDRD2DRD1
Bromide SCHEMBL7790674 0.99 ADRA1D (0.54) ADRA1DADRA1AADRA1BDRD2DRD1
Bromide SCHEMBL7800109 0.99 ADRA1D (0.54) ADRA1DADRA1AADRA1BDRD2DRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0781126-B1 DERIVATIVES OF 2-AMINO-1,2,3,4-TETRAHYDRO-NAPHTHALENE ACTIVE ON THE CARDIOVASCULAR SYSTEM ZAMBON SPA (IT) 2001-12-12 EP disclosed
EP-0781126-A2 DERIVATIVES OF 2-AMINO-1,2,3,4-TETRAHYDRO-NAPHTHALENE ACTIVE ON THE CARDIOVASCULAR SYSTEM ZAMBON GROUP S.p.A. (IT) 1997-07-02 EP disclosed
WO-1996008228-A2 DERIVATIVES OF 2-AMINO-1,2,3,4-TETRAHYDRO-NAPHTHALENE ACTIVE ON THE CARDIOVASCULAR SYSTEM ZAMBON GROUP S.P.A. (IT) 1996-03-21 WO disclosed