Bromide

Bromide

SCHEMBL5494569

O=C(O[C@H]1C[N+]2(CCCc3cccs3)CCC1CC2)N(Cc1ccsc1)c1ccccc1.[Br-]

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ACHECHKACHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNB1CHRNDCHRNECHRNGHRH2OPRM1

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 3)

geneUniProtsupporting neighboursconfidence
CHRM2 known ✓ P08172 20/20 1.00
CHRM1 known ✓ P11229 20/20 1.00
CHRM3 known ✓ P20309 20/20 1.00

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
SCHEMBL2815763 0.99 CHRM2 (1.00) CHRM2CHRM1CHRM3
Trifluoroacetic Acid SCHEMBL6080109 0.93 CHRM2 (0.88) CHRM2CHRM1CHRM3
Bromide SCHEMBL5486390 0.92 CHRM2 (1.00) CHRM2CHRM1CHRM3
Bromide SCHEMBL5494567 0.92 CHRM2 (0.86) CHRM2CHRM1CHRM3
SCHEMBL2816171 0.92 CHRM2 (1.00) CHRM2CHRM1CHRM3
Bromide SCHEMBL5493208 0.92 CHRM3 (1.00) CHRM2CHRM1CHRM3
SCHEMBL2815761 0.91 CHRM2 (0.85) CHRM2CHRM1CHRM3
SCHEMBL2832642 0.91 CHRM2 (0.84) CHRM2CHRM1CHRM3
SCHEMBL2818763 0.91 CHRM3 (1.00) CHRM2CHRM1CHRM3
SCHEMBL2835107 0.88 CHRM2 (0.91) CHRM2CHRM1CHRM3

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-7208501-B2 Quinuclidine carbamate derivatives and their use as M3 antagonists ALMIRALL PRODESFARMA AG (CH) 2007-04-24 US claimed