Bromide

Bromide

SCHEMBL9670755

C[N+]1(CCCCCCc2ccc(CCCCCC[N+]3(C)CCCCC3)cc2)CCCCC1.[Br-].[Br-]

nearest known ligand 0.46

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ACHECHKACHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNB1CHRNDCHRNECHRNGHRH2OPRM1

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
CHRM2 known ✓ P08172 1/20 0.43
CHRM4 known ✓ P08173 1/20 0.43
CHRM5 known ✓ P08912 1/20 0.43
CHRM1 known ✓ P11229 1/20 0.43
CHRM3 known ✓ P20309 1/20 0.43
CHRNB2 P17787 1/20 0.46
CHRNA4 P43681 1/20 0.46
LMNA P02545 5/20 0.45
CTDSP1 Q9GZU7 3/20 0.45
APOBEC3A P31941 4/20 0.43
APOBEC3G Q9HC16 4/20 0.43
KDM4E B2RXH2 2/20 0.43
CHRNA7 P36544 3/20 0.43
KMT2A Q03164 2/20 0.42
ALDH1A1 P00352 2/20 0.41
MAPT P10636 1/20 0.41
CYP3A4 P08684 1/20 0.39
TSHR P16473 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
BLM P54132 1/20 0.39

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 SCHEMBL9671965 0.98 CHRNB2 (0.47) CHRNB2CHRNA4LMNACTDSP1APOBEC3A
Bromide SCHEMBL11133572 0.89 ALDH1A1 (0.52) CHRNB2CHRNA4LMNACTDSP1APOBEC3A
SCHEMBL18917600 0.88 CHRNA7 (0.48) CHRNB2CHRNA4LMNACTDSP1APOBEC3A
Bromide SCHEMBL30763642 0.88 LMNA (0.38) CHRNB2CHRNA4LMNACTDSP1APOBEC3A
Bromide SCHEMBL11132066 0.87 CTDSP1 (0.51) LMNACTDSP1APOBEC3AAPOBEC3GKDM4E
SCHEMBL11133958 0.87 ALDH1A1 (0.54) CHRNB2CHRNA4LMNACTDSP1APOBEC3A
Water SCHEMBL21143569 0.86 CHRNA7 (0.47) CHRNB2CHRNA4LMNACTDSP1APOBEC3A
Bromide SCHEMBL11133578 0.86 ALDH1A1 (0.52) CHRNB2CHRNA4LMNACTDSP1APOBEC3A
SCHEMBL15935875 0.84 ESR1 (0.49) CHRNB2CHRNA4LMNAKDM4ECHRM2
SCHEMBL27254532 0.83 CHRM2 (0.38) CHRNB2CHRNA4LMNACTDSP1APOBEC3A

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-5093370-A Useful prior to insertion of tracheotomy tube or discission TOBISHI YAKUHIN KOGYO KABUSHIKI KAISHA (JP) 1992-03-03 US disclosed