SCHEMBL7329307

SCHEMBL7329307

CCCN(C(=O)CCCCCN(C(C)=O)c1ccc(O)c(OC)c1)[C@H]1CCc2c(ccc(OCc3ccccc3)c2OCc2ccccc2)C1

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 7/20 0.39
DRD2 P14416 6/20 0.39
ADRA1D P25100 5/20 0.39
ADRA1A P35348 5/20 0.39
ADRA1B P35368 5/20 0.39
AGTR2 P50052 3/20 0.36

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
SCHEMBL7329313 0.84 ADRA1D (0.41) DRD3DRD2ADRA1DADRA1AADRA1B
SCHEMBL7329325 0.84 ADRA1D (0.41) DRD3DRD2ADRA1DADRA1AADRA1B
SCHEMBL7339757 0.83 DRD3 (0.40) DRD3DRD2ADRA1DADRA1AADRA1B
SCHEMBL7338346 0.83 DRD2 (0.45) DRD3DRD2AGTR2
SCHEMBL7332690 0.83 DRD2 (0.45) DRD3DRD2AGTR2
SCHEMBL7397344 0.82 DRD2 (0.43) DRD3DRD2AGTR2
SCHEMBL7397346 0.82 DRD2 (0.43) DRD3DRD2AGTR2
SCHEMBL7329975 0.80 DRD2 (0.36) DRD3DRD2ADRA1DADRA1AADRA1B
SCHEMBL7797096 0.74 DRD3 (0.40) DRD3DRD2
SCHEMBL7797091 0.74 DRD3 (0.40) DRD3DRD2

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