Bromide

Bromide

SCHEMBL4344463

Br.CCC(CC)CCn1cc(Cc2ccccc2)n(CC(=O)c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)c1=N

nearest known ligand 0.53

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
ACHE known ✓ P22303 2/20 0.36
F2R P25116 10/20 0.53
MAOB P27338 4/20 0.37
BCHE P06276 2/20 0.36
MAOA P21397 2/20 0.36
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
CYP3A4 P08684 1/20 0.33
MEN1 O00255 1/20 0.33
GAA P10253 1/20 0.33
KMT2A Q03164 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
SCHEMBL6365094 0.99 F2R (0.54) F2RMAOBBCHEMAOAACHE
Bromide SCHEMBL4346201 0.87 F2R (0.50) F2RCYP3A4MEN1KMT2A
SCHEMBL14369058 0.86 F2R (0.45) F2RMAOBBCHEMAOAACHE
SCHEMBL14346335 0.86 F2R (0.51) F2RCYP3A4MEN1KMT2A
Bromide SCHEMBL4340591 0.81 F2R (0.66) F2RMAOBBCHEMAOAACHE
Bromide SCHEMBL4338270 0.80 F2R (0.50) F2RMAOBBCHEMAOAACHE
SCHEMBL14346256 0.80 F2R (0.67) F2RMAOBBCHEMAOAACHE
Bromide SCHEMBL4340529 0.80 F2R (0.47) F2RCYP3A4MEN1KMT2A
Bromide SCHEMBL4337545 0.80 F2R (0.46) F2RCYP3A4MEN1KMT2A
Bromide SCHEMBL6750567 0.80 F2R (0.74) F2RNPC1RAB9AMEN1GAA

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-1391456-B1 2-IMINOIMIDAZOLE DERIVATIVES EISAI R&D MAN CO LTD (JP) 2009-07-22 EP disclosed
US-7304083-B2 2-iminoimidazole derivatives (2) EISAI R&D MANAGEMENT CO., LTD. (JP) 2007-12-04 US disclosed