Bromide

Bromide

SCHEMBL7363329

Br.Br.CCCN(CCCCCCNCCc1ccc2[nH]c(=O)sc2c1)[C@H]1CCc2c(O)cccc2C1

nearest known ligand 0.59

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ACHEADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3APH1AAPH1BCHRM2CHRM3EZH2GRIN2AHTR1AHTR1BHTR1DHTR1FHTR3ANCSTNP2RY12PSEN1PSEN2PSENENSIGMAR1SLC6A2SLC6A3SLC6A4

The experimentally established mechanism targets of Bromide. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR1A known ✓ P08908 1/20 0.52
ADRB2 known ✓ P07550 1/20 0.52
DRD2 P14416 10/20 0.59
DRD3 P35462 10/20 0.59
DRD4 P21917 3/20 0.52
DRD1 P21728 1/20 0.52
DRD5 P21918 1/20 0.52
HTR7 P34969 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
Bromide SCHEMBL7363334 1.00 DRD2 (0.59) DRD2DRD3DRD4HTR1ADRD1
SCHEMBL7334012 0.99 DRD2 (0.60) DRD2DRD3DRD4HTR1ADRD1
SCHEMBL7334008 0.99 DRD2 (0.60) DRD2DRD3DRD4HTR1ADRD1
Bromide SCHEMBL7800109 0.91 ADRA1D (0.54) DRD2DRD3DRD1
Bromide SCHEMBL7790671 0.91 ADRA1D (0.54) DRD2DRD3DRD1
Bromide SCHEMBL7338241 0.91 ADRA1D (0.54) DRD2DRD3DRD1
Bromide SCHEMBL7790674 0.91 ADRA1D (0.54) DRD2DRD3DRD1
Bromide SCHEMBL7800105 0.91 ADRA1D (0.54) DRD2DRD3DRD1
Bromide SCHEMBL7338244 0.91 ADRA1D (0.54) DRD2DRD3DRD1
SCHEMBL7340632 0.90 ADRA1D (0.55) 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