Bromide

Bromide

SCHEMBL1731453

Br.CCC(C(=O)O)N1CCN(Cc2cc(C(=O)CN3Cc4ccc(C(C)(C)C)cc4C3=N)cc(C(C)(C)C)c2)CC1

nearest known ligand 0.37

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 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.37
MAPT P10636 2/20 0.37
RAB9A P51151 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPC1 O15118 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
F2R P25116 5/20 0.33
OPRD1 P41143 1/20 0.32
DDR1 Q08345 3/20 0.32
KCNH2 Q12809 2/20 0.31
CYP2C9 P11712 1/20 0.31
LMNA P02545 1/20 0.31
NR1I2 O75469 1/20 0.31
ADORA3 P0DMS8 1/20 0.31
CNR1 P21554 1/20 0.31
HRH1 P35367 1/20 0.31
OPRK1 P41145 1/20 0.31
PDE4D Q08499 1/20 0.31
GHSR Q92847 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 SCHEMBL5484838 0.88 MAPT (0.41) KDM4EMAPTRAB9ASMN1; SMN2NPC1
Bromide SCHEMBL1731717 0.86 F2R (0.31) MEN1KMT2AF2RDDR1
Bromide SCHEMBL1731986 0.84 F2R (0.32) F2R
Bromide SCHEMBL1729708 0.83 F2R (0.39) KDM4EMAPTRAB9ANPC1F2R
Bromide SCHEMBL1732862 0.83 F2R (0.39) KDM4EMAPTRAB9ANPC1F2R
Bromide SCHEMBL1729650 0.81 F2R (0.56) F2R
Bromide SCHEMBL1730506 0.80 F2R (0.50) KDM4EMEN1KMT2AF2RCYP2C9
Bromide SCHEMBL5494507 0.75 F2R (0.38) KDM4EMAPTRAB9ASMN1; SMN2NPC1
Bromide SCHEMBL5490632 0.74 F2R (0.46) KDM4EMAPTRAB9ASMN1; SMN2NPC1
Bromide SCHEMBL1730702 0.73 F2R (0.48) KDM4EMAPTRAB9ASMN1; SMN2NPC1

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