SCHEMBL7334012

SCHEMBL7334012

CCCN(CCCCCCNCCc1ccc2[nH]c(=O)sc2c1)C1CCc2c(O)cccc2C1

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 10/20 0.60
DRD3 P35462 9/20 0.60
DRD4 P21917 3/20 0.52
DRD1 P21728 2/20 0.52
HTR1A P08908 1/20 0.52
DRD5 P21918 1/20 0.52
HTR7 P34969 1/20 0.52
ADRB2 P07550 1/20 0.52

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
SCHEMBL7334008 1.00 DRD2 (0.60) DRD2DRD3DRD4DRD1HTR1A
Bromide SCHEMBL7363329 0.99 DRD2 (0.59) DRD2DRD3DRD4DRD1HTR1A
Bromide SCHEMBL7363334 0.99 DRD2 (0.59) DRD2DRD3DRD4DRD1HTR1A
SCHEMBL7342023 0.91 ADRA1D (0.55) DRD2DRD3DRD1
SCHEMBL7342741 0.91 ADRA1D (0.55) DRD2DRD3DRD1
SCHEMBL7342744 0.91 ADRA1D (0.55) DRD2DRD3DRD1
SCHEMBL7342016 0.91 ADRA1D (0.55) DRD2DRD3DRD1
SCHEMBL7340636 0.91 ADRA1D (0.55) DRD2DRD3DRD1
SCHEMBL7340632 0.91 ADRA1D (0.55) DRD2DRD3DRD1
Bromide SCHEMBL7338244 0.90 ADRA1D (0.54) 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