SCHEMBL7339281

SCHEMBL7339281

CCCN(CCCCCCNC(=O)Cc1ccc(OC)c(OC)c1)C1CCc2c(ccc(OC)c2OC)C1

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 10/20 0.53
DRD2 P14416 6/20 0.53
ADRA1D P25100 5/20 0.51
ADRA1A P35348 5/20 0.51
ADRA1B P35368 5/20 0.51
L3MBTL1 Q9Y468 1/20 0.48
DRD4 P21917 1/20 0.46

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
SCHEMBL7339293 1.00 DRD3 (0.53) DRD3DRD2ADRA1DADRA1AADRA1B
SCHEMBL7359873 0.85 ADRA1D (0.57) DRD3DRD2ADRA1DADRA1AADRA1B
Hydrochloric Acid SCHEMBL7797147 0.84 ADRA1D (0.57) DRD3DRD2ADRA1DADRA1AADRA1B
Hydrochloric Acid SCHEMBL7797148 0.84 ADRA1D (0.57) DRD3DRD2ADRA1DADRA1AADRA1B
Hydrochloric Acid SCHEMBL7360355 0.84 ADRA1D (0.57) DRD3DRD2ADRA1DADRA1AADRA1B
Hydrochloric Acid SCHEMBL8384398 0.84 ADRA1D (0.57) DRD3DRD2ADRA1DADRA1AADRA1B
Hydrochloric Acid SCHEMBL7360359 0.84 ADRA1D (0.57) DRD3DRD2ADRA1DADRA1AADRA1B
Hydrochloric Acid SCHEMBL8384401 0.84 ADRA1D (0.57) DRD3DRD2ADRA1DADRA1AADRA1B
Hydrochloric Acid SCHEMBL7329632 0.81 DRD2 (0.55) DRD3DRD2ADRA1DADRA1AADRA1B
Hydrochloric Acid SCHEMBL7338118 0.80 DRD3 (0.53) 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