Bromide

Bromide

SCHEMBL11280236

Br.Oc1ccc2cc(CCNCc3ccccc3)ccc2c1

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 16)

geneUniProtsupporting neighboursconfidence
ADRA1D known ✓ P25100 1/20 0.50
ADRA1A known ✓ P35348 1/20 0.50
ADRA1B known ✓ P35368 1/20 0.50
BCHE P06276 9/20 0.59
GAA P10253 1/20 0.54
MAPT P10636 1/20 0.54
SLC2A1 P11166 1/20 0.52
DRD4 P21917 2/20 0.50
MPO P05164 1/20 0.50
DRD2 P14416 1/20 0.50
DRD3 P35462 1/20 0.50
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
ATM Q13315 1/20 0.49
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.49

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
Acetic Acid SCHEMBL11275546 0.93 BCHE (0.53) BCHEGAAMAPTSLC2A1MEN1
SCHEMBL4672887 0.85 BCHE (0.51) BCHEDRD4DRD2ADRA1DADRA1A
SCHEMBL22495340 0.85 GAA (0.63) BCHEGAAMAPTMEN1KMT2A
Hydrochloric Acid SCHEMBL11270300 0.85 GAA (0.59) BCHEGAAMAPTSLC2A1MPO
SCHEMBL9328648 0.82 GAA (0.63) BCHEGAAMAPTDRD4MPO
SCHEMBL580289 0.82 BCHE (0.77) BCHEGAAMAPTSLC2A1DRD4
SCHEMBL3695539 0.82 BCHE (0.77) BCHEGAAMAPTSLC2A1DRD4
Hydrochloric Acid SCHEMBL9332806 0.80 GAA (0.78) BCHEGAAMAPTSLC2A1DRD4
Bromide SCHEMBL11279741 0.80 L3MBTL1 (0.51) MAPTDRD4DRD2DRD3KMT2A
Bromide SCHEMBL11269859 0.80 SIGMAR1 (0.42) MAPTDRD4DRD2ADRA1DADRA1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4327022-A Heterocyclic alkyl naphthols STERLING DRUG INC. (US) 1982-04-27 US disclosed
US-4169108-A 5(OR 6)-[(Substituted-amino)alkyl]-2,3-naphthalenediols STERLING DRUG INC. (US) 1979-09-25 US disclosed