Bromide

Bromide

SCHEMBL8556654

Br.Br.NCC(=O)C12CCN(CC1)C2

nearest known ligand 0.47

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 4)

geneUniProtsupporting neighboursconfidence
CHRM2 known ✓ P08172 1/20 0.33
CHRM3 known ✓ P20309 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRM1 P11229 1/20 0.33

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
Hydrochloric Acid SCHEMBL8558036 0.96 CHRM2 (0.33) CHRM2CHRM4CHRM1CHRM3
Bromide SCHEMBL8556591 0.93 CHRM2 (0.39) CHRM2CHRM4CHRM1CHRM3
Hydrochloric Acid SCHEMBL8558853 0.89 CHRM2 (0.39) CHRM2CHRM4CHRM1CHRM3
Bromide SCHEMBL8557420 0.79 CHRM2 (0.36) CHRM2CHRM4CHRM1CHRM3
Hydrochloric Acid SCHEMBL9585273 0.75 CHRM2 (0.33) CHRM2CHRM4CHRM1CHRM3
SCHEMBL7983365 0.75 CHRM2 (0.33) CHRM2CHRM4CHRM1CHRM3
Bromide SCHEMBL8560555 0.73 CHRM2 (0.42) CHRM2CHRM4CHRM1CHRM3
SCHEMBL9050123 0.73 CHRM2 (0.36) CHRM2CHRM4CHRM1CHRM3
SCHEMBL7985447 0.71 CHRM2 (0.40) CHRM2CHRM4CHRM1CHRM3
SCHEMBL9136497 0.71 CHRM2 (0.46) CHRM2CHRM4CHRM1CHRM3

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
EP-0366304-B1 Heterocyclic derivatives, process for their preparation and pharmaceutical compositions containing them BEECHAM GROUP PLC (GB) 1998-04-15 EP disclosed
US-5166357-A Nitrogen heterocylic compounds used in treatment of dementia in mammals BEECHAM GROUP P.L.C. (GB) 1992-11-24 US disclosed