Bromide

Bromide

SCHEMBL9786116

Br.Br.CCc1c(CCNCCCCCCNCCc2ccc([N+](=O)[O-])cc2)ccc(O)c1O.O

nearest known ligand 0.52

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
▸ CHRM2 known ✓ P08172 1/20 0.47
▸ ADRB2 known ✓ P07550 1/20 0.39
▸ ADRA2B known ✓ P18089 1/20 0.39
▸ ADRA2C known ✓ P18825 1/20 0.39
▸ SLC6A2 known ✓ P23975 1/20 0.39
▸ SLC6A4 known ✓ P31645 1/20 0.39
▸ ADRA1A known ✓ P35348 1/20 0.39
▸ SLC6A3 known ✓ Q01959 1/20 0.39
▸ CDC25C P30307 3/20 0.47
▸ KCNH2 Q12809 3/20 0.43
▸ SLC2A1 P11166 1/20 0.42
▸ CA12 O43570 2/20 0.41
▸ CA1 P00915 2/20 0.41
▸ CA2 P00918 2/20 0.41
▸ CA4 P22748 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ HDAC3 O15379 1/20 0.40
▸ HDAC1 Q13547 1/20 0.40
▸ HDAC2 Q92769 1/20 0.40

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
Bromide SCHEMBL9786026 0.84 SLC2A1 (0.48) CHRM2KCNH2SLC2A1ADRB2ADORA3
Bromide SCHEMBL9786002 0.84 SLC2A1 (0.43) KCNH2SLC2A1CA12CA2ADRB2
Bromide SCHEMBL9786042 0.84 SLC2A1 (0.43) KCNH2SLC2A1CA12CA2ADRB2
Bromide SCHEMBL9786063 0.84 SLC2A1 (0.43) KCNH2SLC2A1CA12CA2ADRB2
Bromide SCHEMBL9786053 0.82 SLC2A1 (0.43) KCNH2SLC2A1CA12CA2ADRB2
Bromide SCHEMBL9786103 0.82 SLC2A1 (0.47) KCNH2SLC2A1ADRB2ADORA3CHRM1
Bromide SCHEMBL7280733 0.82 ADRB2 (0.56) KCNH2SLC2A1ADRB2ADORA3CHRM1
SCHEMBL9786076 0.81 SLC2A1 (0.44) KCNH2SLC2A1CA12CA2ADRB2
SCHEMBL7292774 0.81 KCNH2 (0.46) CDC25CCHRM2KCNH2SLC2A1CA12
SCHEMBL7280271 0.81 ADRB2 (0.57) KCNH2SLC2A1ADRB2ADORA3CHRM1

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-5023378-A Hypotensive agents, antiischemic agents, urogenital disorders GLAXO GROUP LIMITED (GB) 1991-06-11 — — US disclosed
EP-0188361-A1 Amine derivatives GLAXO GROUP LIMITED (GB) 1986-07-23 — — EP disclosed
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