Bromide

Bromide

SCHEMBL31074002

Br.N[C@@H](Cc1ccc(OCCNC(=O)N2CCN(CC(=O)O)CC2)cc1)C(=O)O

nearest known ligand 0.48

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
▸ ADRA1D known ✓ P25100 1/20 0.41
▸ ADRA1A known ✓ P35348 1/20 0.41
▸ ADRA1B known ✓ P35368 1/20 0.41
▸ SLC6A3 known ✓ Q01959 1/20 0.41
▸ SIGMAR1 known ✓ Q99720 1/20 0.41
▸ ITGB3 P05106 1/20 0.48
▸ ITGA2B P08514 1/20 0.48
▸ HRH2 P25021 6/20 0.42
▸ HRH1 P35367 6/20 0.42
▸ FAAH O00519 4/20 0.41
▸ HTR2A P28223 3/20 0.41
▸ CACNA1F O60840 1/20 0.41
▸ ADORA3 P0DMS8 1/20 0.41
▸ DRD2 P14416 1/20 0.41
▸ TACR2 P21452 1/20 0.41
▸ DRD1 P21728 1/20 0.41
▸ DRD5 P21918 1/20 0.41
▸ TACR1 P25103 1/20 0.41
▸ HTR2C P28335 1/20 0.41
▸ HTR7 P34969 1/20 0.41

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
SCHEMBL31688659 0.99 ITGB3 (0.49) ITGB3ITGA2BHRH2HRH1FAAH
SCHEMBL25360874 0.99 ITGB3 (0.49) ITGB3ITGA2BHRH2HRH1FAAH
SCHEMBL26009739 0.99 ITGB3 (0.49) ITGB3ITGA2BHRH2HRH1FAAH
SCHEMBL26008260 0.92 ITGB3 (0.48) ITGB3ITGA2BHRH2HRH1FAAH
SCHEMBL31688669 0.85 HRH2 (0.46) ITGB3ITGA2BHRH2HRH1FAAH
SCHEMBL31688810 0.85 HRH2 (0.46) ITGB3ITGA2BHRH2HRH1FAAH
SCHEMBL25357494 0.83 HRH3 (0.48) ITGB3ITGA2BHRH2HRH1HTR2A
SCHEMBL25357478 0.83 HRH3 (0.48) ITGB3ITGA2BHRH2HRH1HTR2A
SCHEMBL25356954 0.82 KDM4E (0.51) SLC7A5
SCHEMBL26009757 0.82 KDM4E (0.51) SLC7A5

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
WO-2024172166-A1 HUMAN TRANSFERRIN RECEPTOR-BINDING PEPTIDE JCRファーマ株式会社 2024-08-22 — — WO disclosed
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