Bromide

Bromide

SCHEMBL30685980

Br.CN1CCc2cc(Br)c(O)cc2C(c2ccccc2)C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

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
▸ ADRA2A known ✓ P08913 1/20 1.00
▸ ADRA2B known ✓ P18089 1/20 1.00
▸ ADRA2C known ✓ P18825 1/20 1.00
▸ SLC6A2 known ✓ P23975 1/20 1.00
▸ HTR1B known ✓ P28222 1/20 1.00
▸ SLC6A4 known ✓ P31645 1/20 1.00
▸ ADRA1A known ✓ P35348 1/20 1.00
▸ SLC6A3 known ✓ Q01959 1/20 1.00
▸ SIGMAR1 known ✓ Q99720 1/20 0.72
▸ ADRB2 known ✓ P07550 1/20 0.70
▸ DRD1 P21728 15/20 1.00
▸ DRD5 P21918 4/20 1.00
▸ MAPK1 P28482 2/20 1.00
▸ LMNA P02545 2/20 1.00
▸ HTR2A P28223 2/20 1.00
▸ HTR2C P28335 1/20 1.00
▸ HTR7 P34969 1/20 1.00
▸ HRH1 P35367 1/20 1.00
▸ HTR6 P50406 1/20 1.00
▸ DRD2 P14416 5/20 0.97

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 SCHEMBL16241879 1.00 DRD1 (1.00) DRD1DRD5MAPK1LMNAHTR2A
SCHEMBL20415945 0.99 DRD1 (1.00) DRD1DRD5MAPK1LMNAHTR2A
SCHEMBL11398674 0.99 DRD1 (1.00) DRD1DRD5MAPK1LMNAHTR2A
Hydrochloric Acid SCHEMBL7205098 0.97 DRD1 (1.00) DRD1DRD5MAPK1LMNAHTR2A
Bromide SCHEMBL11707024 0.90 KDM4E (1.00) DRD1DRD5MAPK1LMNAHTR2A
SCHEMBL11712694 0.88 DRD1 (1.00) DRD1DRD5MAPK1LMNAHTR2A
SCHEMBL9764438 0.85 DRD1 (0.82) DRD1DRD5MAPK1LMNAHTR2A
Sch-23390 SCHEMBL2916216 0.84 DRD1 (1.00) DRD1DRD5MAPK1LMNADRD2
SCHEMBL469504 0.84 DRD1 (0.81) DRD1DRD5MAPK1LMNAHTR2A
SCHEMBL31676580 0.84 DRD1 (0.81) DRD1DRD5MAPK1LMNAHTR2A

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-3570814-B1 MOLECULAR ADJUVANTS FOR ENHANCED CYTOSOLIC DELIVERY OF ACTIVE AGENTS UNIV GENT (BE) 2023-11-29 — — EP disclosed
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