Bromide

Bromide

SCHEMBL6544753

Br.CCOc1cc2c(c(F)c1OCC)C(=N)N(CC(=O)c1ccc3c(c1)N(C)CC(C(=O)OC(C)(C)C)O3)C2

nearest known ligand 0.57

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 12)

geneUniProtsupporting neighboursconfidence
F2R P25116 6/20 0.57
MAPT P10636 2/20 0.32
KDM4E B2RXH2 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
SIRT2 Q8IXJ6 1/20 0.32
SIRT1 Q96EB6 1/20 0.32
POLB P06746 1/20 0.31
CPT1A P50416 1/20 0.31
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
MAPK1 P28482 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
Hydrochloric Acid SCHEMBL6545022 0.99 F2R (0.56) F2RMAPTKDM4ENPC1RAB9A
SCHEMBL6544351 0.89 F2R (0.49) F2RMAPTKDM4ENPC1RAB9A
Bromide SCHEMBL6544687 0.83 F2R (0.56) F2RMAPTKDM4ENPC1RAB9A
Bromide SCHEMBL6543938 0.82 F2R (0.37) F2RMAPTKDM4ENPC1RAB9A
Bromide SCHEMBL1732339 0.82 F2R (0.65) F2R
Hydrochloric Acid SCHEMBL1732430 0.80 F2R (0.64) F2R
Bromide SCHEMBL1732738 0.79 F2R (0.60) F2RMAPTKDM4ENPC1RAB9A
Bromide SCHEMBL1731325 0.79 F2R (0.56) F2RMAPTKDM4ENPC1RAB9A
Bromide SCHEMBL6543851 0.78 F2R (0.53) F2RMAPTKDM4ENPC1RAB9A
SCHEMBL28740926 0.78 F2R (0.56) F2RMAPTKDM4ENPC1RAB9A

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-A1 2-IMINOPYRROLIDINE DERIVATES Eisai Co., Ltd. (JP) 2004-02-25 EP disclosed