Bromide

Bromide

SCHEMBL9722858

Br.CNCC(Cc1cccc(F)c1)C1CCOc2c1ccc(O)c2O

nearest known ligand 0.34

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 20)

geneUniProtsupporting neighboursconfidence
ADRB1 known ✓ P08588 2/20 0.33
ADRB2 known ✓ P07550 1/20 0.33
SLC6A2 known ✓ P23975 4/20 0.32
SLC6A4 known ✓ P31645 4/20 0.32
ADRA2A known ✓ P08913 1/20 0.31
ADRA2B known ✓ P18089 1/20 0.31
ADRA2C known ✓ P18825 1/20 0.31
ADRA1A known ✓ P35348 1/20 0.31
CARM1 Q86X55 4/20 0.34
PRMT6 Q96LA8 3/20 0.34
ATM Q13315 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
PRMT8 Q9NR22 1/20 0.33
TAAR1 Q96RJ0 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
DPP4 P27487 1/20 0.31
DPP8 Q6V1X1 1/20 0.31
DPP9 Q86TI2 1/20 0.31
DPP7 Q9UHL4 1/20 0.31

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
Hydrochloric Acid SCHEMBL9466647 0.80 HTR2A (0.36) CARM1PRMT6PRMT8SLC6A2SLC6A4
Hydrochloric Acid SCHEMBL9523462 0.80 ADRA2A (0.39) CARM1PRMT6TAAR1SLC6A2SLC6A4
Bromide SCHEMBL9722855 0.75 SLC6A2 (0.38) SLC6A2SLC6A4ADRA2AADRA2BADRA2C
Hydrochloric Acid SCHEMBL9521304 0.72 STS (0.40) CARM1PRMT6PRMT8SLC6A2SLC6A4
Hydrochloric Acid SCHEMBL9521607 0.70 KMT2A (0.42) CARM1PRMT6PRMT8TAAR1SLC6A2
Bromide SCHEMBL9464934 0.69 SLC6A4 (0.50) TAAR1SLC6A4ADRA2AADRA2BADRA2C
SCHEMBL9715577 0.66 HTR1A (0.48) CARM1SLC6A4
Hydrochloric Acid SCHEMBL9520952 0.65 HTR1A (0.42) CARM1PRMT6PRMT8LMNASLC6A4
Hydrochloric Acid SCHEMBL9464705 0.64 HTR1A (0.39) TAAR1ALDH1A1SLC6A4
SCHEMBL25046506 0.64 TAAR1 (0.53) CARM1TAAR1ADRB1SLC6A2SLC6A4

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-5140039-A Antidepressants, metabolic disorders ABBOTT LABORATORIES (US) 1992-08-18 US disclosed
EP-0325964-A1 Aminomethyl-chroman and -thiochroman compounds ABBOTT LABORATORIES (US) 1989-08-02 EP disclosed