Bromide

Bromide

SCHEMBL1732473

Br.CNC(=O)c1cc2c(cc1N(C)C)CN(CC(=O)c1cc3c(c(C(C)(C)C)c1)OCCN3CCCC(=O)O)C2=N

nearest known ligand 0.35

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 5)

geneUniProtsupporting neighboursconfidence
F2R P25116 6/20 0.35
CYSLTR2 Q9NS75 1/20 0.31
CYSLTR1 Q9Y271 1/20 0.31
PTGS1 P23219 1/20 0.30
PTGS2 P35354 1/20 0.30

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 SCHEMBL1729718 0.92 F2R (0.39) F2R
Bromide SCHEMBL1729257 0.90 F2R (0.37) F2RPTGS1PTGS2
Bromide SCHEMBL1732250 0.90 F2R (0.36) F2R
Bromide SCHEMBL1731876 0.88 F2R (0.39) F2R
Bromide SCHEMBL1729969 0.88 F2R (0.36) F2R
Bromide SCHEMBL1731166 0.88 F2R (0.46) F2RCYSLTR2CYSLTR1
Bromide SCHEMBL1732614 0.86 F2R (0.34) F2R
Trifluoroacetic Acid SCHEMBL1728671 0.85 F2R (0.37) F2R
Bromide SCHEMBL5483964 0.84 F2R (0.34) F2R
Bromide SCHEMBL5488711 0.84 F2R (0.34) 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
EP-1391451-B1 2-IMINOPYRROLIDINE DERIVATES EISAI R&D MAN CO LTD (JP) 2011-11-23 EP disclosed