SCHEMBL7329975

SCHEMBL7329975

CCCN(C(=O)CCCCCN(C(C)=O)c1ccc(O)c([N+](=O)[O-])c1)[C@H]1CCc2c(ccc(OC)c2OC)C1

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 8/20 0.36
DRD3 P35462 7/20 0.36
ADRA1D P25100 5/20 0.36
ADRA1A P35348 5/20 0.36
ADRA1B P35368 5/20 0.36
DRD1 P21728 1/20 0.34

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
SCHEMBL7339757 0.89 DRD3 (0.40) DRD2DRD3ADRA1DADRA1AADRA1B
SCHEMBL7341472 0.83 DRD2 (0.38) DRD2DRD3ADRA1DADRA1AADRA1B
SCHEMBL7329982 0.83 DRD2 (0.38) DRD2DRD3ADRA1DADRA1AADRA1B
SCHEMBL7329307 0.80 DRD3 (0.39) DRD2DRD3ADRA1DADRA1AADRA1B
SCHEMBL7333787 0.78 DRD3 (0.46) DRD2DRD3ADRA1DADRA1AADRA1B
SCHEMBL7333795 0.78 DRD3 (0.46) DRD2DRD3ADRA1DADRA1AADRA1B
SCHEMBL7355600 0.78 DRD3 (0.44) DRD2DRD3ADRA1DADRA1AADRA1B
SCHEMBL7355604 0.78 DRD3 (0.44) DRD2DRD3ADRA1DADRA1AADRA1B
SCHEMBL7342652 0.78 DRD2 (0.47) DRD2DRD3DRD1
SCHEMBL7342658 0.78 DRD2 (0.47) DRD2DRD3DRD1

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