Bromide

Bromide

SCHEMBL5490649

Br.CCOCC(=O)N1CCN(c2cc(C(=O)CN3Cc4cc(OCC)c(OCC)c(F)c4C3=N)cc(C(C)(C)C)c2OC)CC1

nearest known ligand 0.79

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
F2R P25116 16/20 0.79
ALDH1A1 P00352 1/20 0.33
KMT2A Q03164 1/20 0.32
KCNH2 Q12809 1/20 0.31

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
Bromide SCHEMBL1729112 0.95 F2R (0.80) F2RKMT2AKCNH2
Bromide SCHEMBL1728939 0.94 F2R (0.81) F2RKMT2AKCNH2
SCHEMBL14449063 0.94 F2R (0.79) F2RKMT2AKCNH2
SCHEMBL1731119 0.94 F2R (0.80) F2RKMT2AKCNH2
Bromide SCHEMBL1729586 0.94 F2R (0.82) F2RKMT2AKCNH2
SCHEMBL12151694 0.93 F2R (0.81) F2RKMT2AKCNH2
Bromide SCHEMBL1730893 0.92 F2R (0.83) F2RALDH1A1KMT2A
SCHEMBL1730944 0.91 F2R (0.82) F2RALDH1A1KMT2A
Bromide SCHEMBL1730235 0.90 F2R (0.87) F2R
Bromide SCHEMBL5486107 0.90 F2R (0.80) F2R

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-7244730-B2 2-iminopyrrolidine derivatives EISAI CO., LTD (JP) 2007-07-17 US disclosed