Iodide

Iodide

SCHEMBL11071830

C=CCN1C(=O)CCc2c(OCC(O)C[N+]3(C)CCC(c4ccccc4)CC3)cccc21.[I-]

nearest known ligand 0.44

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ACHECHRM1CHRM3CHRNA1CHRNB1CHRNDCHRNECHRNG

The experimentally established mechanism targets of Iodide. 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
CHRM1 known ✓ P11229 1/20 0.32
CHRM3 known ✓ P20309 1/20 0.32
SLC18A3 Q16572 3/20 0.44
ADRB2 P07550 6/20 0.36
ADRB1 P08588 6/20 0.36
ADRB3 P13945 6/20 0.36
KCNH2 Q12809 2/20 0.33
APOBEC3A P31941 1/20 0.33
APOBEC3G Q9HC16 1/20 0.33
ABCB1 P08183 2/20 0.32
CHRM2 P08172 1/20 0.32
CHRM4 P08173 1/20 0.32
CHRM5 P08912 1/20 0.32
DRD2 P14416 1/20 0.32
DRD4 P21917 1/20 0.32
DRD3 P35462 1/20 0.32
SCN1A P35498 1/20 0.32
SCN5A Q14524 1/20 0.32
SCN9A Q15858 1/20 0.32
LOXL2 Q9Y4K0 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
Iodide SCHEMBL11060156 0.89 SLC18A3 (0.45) SLC18A3ADRB2ADRB1ADRB3KCNH2
SCHEMBL11064919 0.83 ADRB2 (0.51) SLC18A3ADRB2ADRB1ADRB3KCNH2
Oxalic Acid SCHEMBL11068715 0.81 KCNH2 (0.50) ADRB2ADRB1ADRB3KCNH2ABCB1
Iodide SCHEMBL11071282 0.79 ABCB1 (0.41) ADRB2ADRB1ADRB3ABCB1DRD2
SCHEMBL11724290 0.78 ABCB1 (0.41) ADRB2ADRB1ADRB3ABCB1LOXL2
SCHEMBL11068716 0.77 SLC18A3 (0.42) SLC18A3ADRB2ADRB1ADRB3KCNH2
Iodide SCHEMBL11065747 0.77 ADRB1 (0.54) SLC18A3ADRB2ADRB1KCNH2APOBEC3A
SCHEMBL11062978 0.77 ADRB2 (0.46) ADRB2ADRB1ADRB3KCNH2ABCB1
SCHEMBL11068290 0.77 ABCB1 (0.40) ADRB2ADRB1ADRB3ABCB1LOXL2
SCHEMBL10572085 0.75 MAPT (0.59) ADRB2ADRB1ADRB3ABCB1SCN1A

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-4482560-A Carbostyril derivatives, and antihistaminic agents containing the same OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1984-11-13 US disclosed