Bromide

Bromide

SCHEMBL8553366

Br.Br.Nc1nc(-c2ccc(F)cc2)c(C2CCN(CCCC(=O)c3ccc(O)cc3)C2)s1

nearest known ligand 0.91

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 17)

geneUniProtsupporting neighboursconfidence
CHRM2 known ✓ P08172 1/20 0.48
HTR1A known ✓ P08908 1/20 0.48
ADRA2A known ✓ P08913 1/20 0.48
ADRA1A known ✓ P35348 1/20 0.48
HTR2A P28223 2/20 0.91
DRD4 P21917 1/20 0.91
DRD2 P14416 3/20 0.49
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
DRD1 P21728 1/20 0.48
OPRM1 P35372 1/20 0.48
DRD3 P35462 1/20 0.48
KCNH2 Q12809 1/20 0.48
HRH3 Q9Y5N1 1/20 0.48
GRIN1 Q05586 1/20 0.46
GRIN2B Q13224 1/20 0.46
CYP2D6 P10635 1/20 0.44

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
SCHEMBL7516300 0.95 HTR2A (1.00) HTR2ADRD4DRD2MEN1KMT2A
SCHEMBL6907364 0.95 HTR2A (1.00) HTR2ADRD4DRD2MEN1KMT2A
Hydrochloric Acid SCHEMBL8552262 0.95 HTR2A (0.98) HTR2ADRD4DRD2MEN1KMT2A
SCHEMBL8552863 0.89 HTR2A (0.87) HTR2ADRD4DRD2MEN1KMT2A
SCHEMBL3726273 0.84 HTR2A (0.79) HTR2ADRD4DRD2MEN1KMT2A
SCHEMBL13041313 0.82 DRD4 (0.75) HTR2ADRD4DRD2MEN1KMT2A
SCHEMBL8552184 0.72 DRD4 (0.61) HTR2ADRD4DRD2MEN1KMT2A
SCHEMBL8558550 0.71 HTR2A (0.59) HTR2ADRD4DRD2
SCHEMBL8556407 0.71 DRD4 (0.59) HTR2ADRD4MEN1KMT2A
SCHEMBL8553513 0.71 HTR2A (0.59) HTR2ADRD4DRD2HTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0816362-A1 THIAZOLE DERIVATIVES TAISHO PHARMACEUTICAL CO. LTD (JP) 1998-01-07 EP disclosed