SCHEMBL7339768

SCHEMBL7339768

CCCN(C(=O)CCCCCNC(=O)Cc1ccc(O)c(Cl)c1)[C@H]1CCc2c(ccc(OC)c2OC)C1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CA2 P00918 4/20 0.45
CA1 P00915 3/20 0.45
DRD3 P35462 5/20 0.44
DRD2 P14416 3/20 0.40
ADRA1D P25100 5/20 0.39
ADRA1A P35348 5/20 0.39
ADRA1B P35368 5/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
TRPV1 Q8NER1 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
SCHEMBL7339761 1.00 CA2 (0.45) CA2CA1DRD3DRD2ADRA1D
SCHEMBL7341472 0.89 DRD2 (0.38) DRD3DRD2ADRA1DADRA1AADRA1B
SCHEMBL7329982 0.89 DRD2 (0.38) DRD3DRD2ADRA1DADRA1AADRA1B
SCHEMBL7329313 0.84 ADRA1D (0.41) DRD3DRD2ADRA1DADRA1AADRA1B
SCHEMBL7329325 0.84 ADRA1D (0.41) DRD3DRD2ADRA1DADRA1AADRA1B
SCHEMBL7339757 0.82 DRD3 (0.40) DRD3DRD2ADRA1DADRA1AADRA1B
SCHEMBL7339281 0.80 DRD3 (0.53) DRD3DRD2ADRA1DADRA1AADRA1B
SCHEMBL7339293 0.80 DRD3 (0.53) DRD3DRD2ADRA1DADRA1AADRA1B
SCHEMBL7333795 0.79 DRD3 (0.46) DRD3DRD2ADRA1DADRA1AADRA1B
SCHEMBL7333787 0.79 DRD3 (0.46) DRD3DRD2ADRA1DADRA1AADRA1B

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