Iodide

Iodide

SCHEMBL11071302

C[N+]1(CC(O)COc2ccc3c(c2)NC(=O)CC3)CCC(O)(c2ccccc2)CC1.[I-]

nearest known ligand 0.48

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 6)

geneUniProtsupporting neighboursconfidence
MAOB P27338 15/20 0.48
MAOA P21397 14/20 0.48
DRD2 P14416 3/20 0.45
DRD4 P21917 2/20 0.45
DRD3 P35462 2/20 0.45
AOC3 Q16853 1/20 0.40

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 SCHEMBL11065038 0.82 MAOB (0.48) MAOBMAOADRD2AOC3
Iodide SCHEMBL11063509 0.81 ADRB1 (0.54)
SCHEMBL11064783 0.79 DRD2 (0.60) MAOBMAOADRD2DRD4DRD3
Hydrochloric Acid SCHEMBL11073701 0.77 DRD2 (0.49) MAOBMAOADRD2DRD4DRD3
Hydrochloric Acid SCHEMBL11073533 0.75 DRD2 (0.44) MAOBMAOADRD2AOC3
SCHEMBL11725436 0.74 MAOB (0.57) MAOBMAOAAOC3
SCHEMBL2021136 0.73 KCNH2 (0.64) MAOBMAOADRD2DRD4DRD3
SCHEMBL2021138 0.73 KCNH2 (0.64) MAOBMAOADRD2DRD4DRD3
SCHEMBL2024412 0.73 KCNH2 (0.64) MAOBMAOADRD2DRD4DRD3
Iodide SCHEMBL11064437 0.73 MAOB (0.53) MAOBMAOADRD2DRD4DRD3

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