Bromide

Bromide

SCHEMBL10985291

Br.Cc1cc(C)c(OC(C)C2=NCCN2)cc1N

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 7)

geneUniProtsupporting neighboursconfidence
▸ ADRA2B known ✓ P18089 19/20 0.54
▸ ADRA2C known ✓ P18825 19/20 0.54
▸ ADRA2A known ✓ P08913 18/20 0.54
▸ HTR1A known ✓ P08908 2/20 0.54
▸ NISCH Q9Y2I1 5/20 0.59
▸ MAOA P21397 4/20 0.49
▸ MAOB P27338 4/20 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
Hydrochloric Acid SCHEMBL10982604 0.74 NISCH (0.64) NISCHADRA2BADRA2CADRA2AHTR1A
SCHEMBL10983288 0.73 ADRA2A (0.56) NISCHADRA2BADRA2CADRA2AHTR1A
Hydrochloric Acid SCHEMBL9654915 0.71 NISCH (0.77) NISCHADRA2BADRA2CADRA2AHTR1A
SCHEMBL3961590 0.70 NISCH (0.75) NISCHADRA2BADRA2CADRA2AHTR1A
SCHEMBL10035176 0.70 ADRA2A (1.00) NISCHADRA2BADRA2CADRA2AHTR1A
SCHEMBL10978713 0.68 NISCH (0.67) NISCHADRA2BADRA2CADRA2AHTR1A
SCHEMBL9919123 0.68 ADRA2A (0.60) NISCHADRA2BADRA2CADRA2AHTR1A
SCHEMBL2781594 0.67 ADRA2A (0.63) NISCHADRA2BADRA2CADRA2AHTR1A
SCHEMBL17887336 0.67 ADRA2B (0.67) NISCHADRA2BADRA2CADRA2AHTR1A
SCHEMBL17887853 0.66 ADRA2A (1.00) NISCHADRA2BADRA2CADRA2AHTR1A

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
US-4523020-A USEFUL FOR TREATMENT OF DIARRHEA AND AS ANALGESICS G. D. SEARLE & CO. (US) 1985-06-11 — — US disclosed
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