SCHEMBL7329313

SCHEMBL7329313

CCCN(C(=O)CCCCCNC(=O)Cc1ccc(O)c(OC)c1)C1CCc2c(ccc(OCc3ccccc3)c2OCc2ccccc2)C1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 5/20 0.41
ADRA1A P35348 5/20 0.41
ADRA1B P35368 5/20 0.41
DRD3 P35462 4/20 0.41
MTNR1A P48039 1/20 0.41
MTNR1B P49286 1/20 0.41
DRD2 P14416 3/20 0.40
NPC1 O15118 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL7329325 1.00 ADRA1D (0.41) ADRA1DADRA1AADRA1BDRD3MTNR1A
SCHEMBL7329307 0.84 DRD3 (0.39) ADRA1DADRA1AADRA1BDRD3DRD2
SCHEMBL7339768 0.84 CA2 (0.45) ADRA1DADRA1AADRA1BDRD3DRD2
SCHEMBL7339761 0.84 CA2 (0.45) ADRA1DADRA1AADRA1BDRD3DRD2
SCHEMBL7341472 0.82 DRD2 (0.38) ADRA1DADRA1AADRA1BDRD3DRD2
SCHEMBL7329982 0.82 DRD2 (0.38) ADRA1DADRA1AADRA1BDRD3DRD2
SCHEMBL7338346 0.81 DRD2 (0.45) DRD3DRD2
SCHEMBL7332690 0.81 DRD2 (0.45) DRD3DRD2
SCHEMBL7797091 0.81 DRD3 (0.40) DRD3MTNR1AMTNR1BDRD2
SCHEMBL7797096 0.81 DRD3 (0.40) DRD3MTNR1AMTNR1BDRD2

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 4 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
US-5674909-A FOR TREATMENT OF CARDIOVASCULAR DISORDERS ZAMBON GROUP (IT) 1997-10-07 US 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