Bromide

Bromide

SCHEMBL28375561

Br.C[C@H]1CCCN(CCCOc2ccc(-c3cc[n+]([O-])cc3)cc2)C1

nearest known ligand 0.73

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
HRH3 Q9Y5N1 17/20 0.73
HRH2 P25021 1/20 0.69
HRH1 P35367 1/20 0.69
MAOB P27338 2/20 0.59
KDM4E B2RXH2 2/20 0.58
ALDH1A1 P00352 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58

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 SCHEMBL28373270 1.00 HRH3 (0.73) HRH3HRH2HRH1MAOBKDM4E
Bromide SCHEMBL28373269 1.00 HRH3 (0.73) HRH3HRH2HRH1MAOBKDM4E
Bromide SCHEMBL28375560 1.00 HRH3 (0.73) HRH3HRH2HRH1MAOBKDM4E
SCHEMBL4094656 0.99 HRH3 (0.74) HRH3HRH2HRH1MAOBKDM4E
SCHEMBL4094659 0.99 HRH3 (0.74) HRH3HRH2HRH1MAOBKDM4E
Hydrochloric Acid SCHEMBL27711403 0.98 HRH3 (0.73) HRH3HRH2HRH1MAOBKDM4E
Hydrochloric Acid SCHEMBL4595640 0.98 HRH3 (0.73) HRH3HRH2HRH1MAOBKDM4E
Hydrochloric Acid SCHEMBL20511918 0.98 HRH3 (0.73) HRH3HRH2HRH1MAOBKDM4E
Hydrochloric Acid SCHEMBL20511915 0.98 HRH3 (0.73) HRH3HRH2HRH1MAOBKDM4E
Hydrochloric Acid SCHEMBL20509654 0.97 HRH3 (0.71) HRH3HRH2HRH1MAOBKDM4E

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
CN-110891570-A Novel therapeutic uses of H3-ligands 生物计划制药公司 2020-03-17 CN claimed
CN-110891570-A Novel therapeutic uses of H3-ligands 生物计划制药公司 2020-03-17 CN disclosed