Bromide

Bromide

SCHEMBL8201265

Br.O=c1[nH]c2cc(C(F)(F)F)c(-n3ccnc3)cc2n(CCCCBr)c1=O

nearest known ligand 0.59

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 11)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 3/20 0.51
GRIA2 P42262 3/20 0.51
GRIA3 P42263 3/20 0.51
GRIA4 P48058 3/20 0.51
GRIK1 P39086 2/20 0.51
GRIK2 Q13002 2/20 0.51
GRIK3 Q13003 2/20 0.51
GRIK4 Q16099 2/20 0.51
GRIK5 Q16478 2/20 0.51
SLC22A6 Q4U2R8 1/20 0.46
SLC22A8 Q8TCC7 1/20 0.46

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
SCHEMBL8203088 0.89 GRIA1 (0.54) GRIA1GRIA2GRIA3GRIA4GRIK1
SCHEMBL8201019 0.89 GRIA1 (0.52) GRIA1GRIA2GRIA3GRIA4GRIK1
Sulfuric Acid SCHEMBL8206134 0.85 GRIA1 (0.50) GRIA1GRIA2GRIA3GRIA4GRIK1
SCHEMBL8201053 0.84 GRIA1 (0.49) GRIA1GRIA2GRIA3GRIA4GRIK1
SCHEMBL8180885 0.82 GRIA1 (0.76) GRIA1GRIA2GRIA3GRIA4GRIK1
Water SCHEMBL8136158 0.82 GRIA1 (0.48) GRIA1GRIA2GRIA3GRIA4GRIK1
SCHEMBL7354969 0.81 GRIA1 (0.54) GRIA1GRIA2GRIA3GRIA4GRIK1
Hydrochloric Acid SCHEMBL8193639 0.80 GRIA1 (0.43) GRIA1GRIA2GRIA3GRIA4GRIK1
Hydrochloric Acid SCHEMBL8205086 0.79 GRIA1 (0.43) GRIA1GRIA2GRIA3GRIA4GRIK1
SCHEMBL8911878 0.77 GRIA1 (0.53) GRIA1GRIA2GRIA3GRIA4GRIK1

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
US-6121264-A GLUTAMATE RECEPTOR ANTAGONIST, AMPA RECEPTOR ANTAGONIST, NMDA-GLYCINE RECEPTOR ANTAGONIST, KAINIC ACID NEUROTOXICITY INHIBITOR, ANTIISCHEMIC AGENT, PSYCHOTROPIC AGENT YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 2000-09-19 US disclosed
EP-0919554-A1 IMIDAZOLE-SUBSTITUTED QUINOXALINEDIONE DERIVATIVES YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1999-06-02 EP disclosed