Bromide

Bromide

SCHEMBL11010072

Br.CN1Cc2c(O)c(O)cc3c2C(C1)c1ccccc1CC3

nearest known ligand 0.48

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 16)

geneUniProtsupporting neighboursconfidence
SLC6A2 known ✓ P23975 10/20 0.48
SLC6A4 known ✓ P31645 10/20 0.48
SLC6A3 known ✓ Q01959 9/20 0.48
KDM4E B2RXH2 1/20 0.44
MAPT P10636 1/20 0.44
BLM P54132 1/20 0.44
PMP22 Q01453 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
DRD1 P21728 4/20 0.43
DRD2 P14416 2/20 0.43
DRD5 P21918 1/20 0.43
MAPK1 P28482 1/20 0.42
THPO P40225 1/20 0.42
HIF1A Q16665 1/20 0.42
HSD17B10 Q99714 1/20 0.42
MTOR P42345 1/20 0.42

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 SCHEMBL11010140 0.84 SLC6A2 (0.36) SLC6A2SLC6A4SLC6A3KDM4EMAPT
SCHEMBL11012556 0.80 ESR1 (0.51) KDM4EMAPTBLMPMP22DRD1
Bromide SCHEMBL11014029 0.75 HTR2A (0.46) KDM4EMAPTBLMPMP22DRD1
SCHEMBL11007015 0.75 SLC6A2 (0.50) SLC6A2SLC6A4SLC6A3DRD1DRD2
Bromide SCHEMBL11268045 0.72 SLC6A2 (0.65) SLC6A2SLC6A4SLC6A3
SCHEMBL11272633 0.70 SLC6A2 (0.67) SLC6A2SLC6A4SLC6A3
SCHEMBL7214229 0.68 SLC6A2 (0.47) SLC6A2SLC6A4SLC6A3DRD1DRD2
SCHEMBL5247004 0.66 SLC6A2 (0.77) SLC6A2SLC6A4SLC6A3
Bromide SCHEMBL11105104 0.66 SLC6A2 (0.71) SLC6A2SLC6A4SLC6A3PMP22SMN1; SMN2
SCHEMBL5246719 0.65 SLC6A2 (1.00) SLC6A2SLC6A4SLC6A3

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-4522946-A FREE OF EXTRA-PYRAMIDAL SIDE EFFECTS AYERST, MCKENNA & HARRISON, INC. (CA) 1985-06-11 US disclosed