Bromide

Bromide

SCHEMBL4019730

Br.O=C(O)CN1CCc2sccc2[C@H]1c1ccccc1Cl

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 6)

geneUniProtsupporting neighboursconfidence
HHAT Q5VTY9 4/20 0.47
LHCGR P22888 4/20 0.45
NPSR1 Q6W5P4 2/20 0.44
MAPK1 P28482 1/20 0.44
KDM4E B2RXH2 1/20 0.43
DRD1 P21728 1/20 0.42

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
SCHEMBL1499097 0.99 HHAT (0.48) HHATLHCGRNPSR1MAPK1KDM4E
SCHEMBL4018143 0.99 HHAT (0.48) HHATLHCGRNPSR1MAPK1KDM4E
SCHEMBL5439863 0.99 HHAT (0.48) HHATLHCGRNPSR1MAPK1KDM4E
Hydrochloric Acid SCHEMBL5239130 0.98 HHAT (0.47) HHATLHCGRNPSR1MAPK1KDM4E
SCHEMBL24419940 0.85 HHAT (0.52) HHATLHCGR
SCHEMBL2307868 0.85 HHAT (0.48) HHATLHCGRNPSR1MAPK1DRD1
SCHEMBL4738266 0.85 HHAT (0.48) HHATLHCGRNPSR1MAPK1DRD1
SCHEMBL2916838 0.82 HDAC8 (0.42) NPSR1KDM4EDRD1
Sulfuric Acid SCHEMBL2306919 0.82 HHAT (0.45) HHATLHCGRDRD1
Bromide SCHEMBL5236979 0.78 KDM4E (0.46) NPSR1KDM4EDRD1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2121704-A2 POLYMORPHIC FORMS OF CLOPIDOGREL HYDROBROMIDE KRKA, tovarna zdravil, d.d., Novo mesto (SI) 2009-11-25 EP disclosed
EP-2121704-A2 POLYMORPHIC FORMS OF CLOPIDOGREL HYDROBROMIDE KRKA, tovarna zdravil, d.d., Novo mesto (SI) 2009-11-25 EP disclosed
WO-2008108742-A3 POLYMORPHIC FORMS OF CLOPIDOGREL HYDROBROMIDE KRKA TOVARNA ZDRAVIL D D NOVO (SI) 2009-05-14 WO disclosed
WO-2008108742-A2 POLYMORPHIC FORMS OF CLOPIDOGREL HYDROBROMIDE KRKA, TOVARNA ZDRAVIL, D.D., NOVO MESTO (SI) 2008-09-12 WO disclosed
WO-2008108742-A2 POLYMORPHIC FORMS OF CLOPIDOGREL HYDROBROMIDE KRKA, TOVARNA ZDRAVIL, D.D., NOVO MESTO (SI) 2008-09-12 WO disclosed