Bromide

Bromide

SCHEMBL11731553

Br.CC1CCC2=C(C1)c1c(OC(=O)CCCN3CCOCC3)cc(C(C)CCCc3ccc(F)cc3)cc1OC2(C)C

nearest known ligand 0.00

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.

⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.

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
SCHEMBL11737464 0.99 — —
SCHEMBL11737259 0.94 — —
Hydrochloric Acid SCHEMBL11743814 0.92 CNR1 (0.40) —
SCHEMBL11737456 0.89 — —
Hydrochloric Acid SCHEMBL11738680 0.89 — —
Hydrochloric Acid SCHEMBL11735440 0.86 CNR1 (0.42) —
Hydrochloric Acid SCHEMBL11356338 0.84 — —
Hydrochloric Acid SCHEMBL11739139 0.84 — —
Hydrochloric Acid SCHEMBL11742850 0.83 — —
Hydrochloric Acid SCHEMBL11545341 0.83 — —

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-4025630-A Anesthesia methods using benzopyrans and esters thereof as pre-anesthesia medication ABBOTT LABORATORIES (US) 1977-05-24 — — US disclosed
Send feedback