Iodide

Iodide

SCHEMBL11064437

CC(=O)C1(c2ccccc2)CC[N+](C)(CCCOc2ccc3c(c2)NC(=O)CC3)CC1.[I-]

nearest known ligand 0.53

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 14/20 0.53
MAOA P21397 13/20 0.53
DRD2 P14416 6/20 0.49
DRD4 P21917 4/20 0.47
DRD3 P35462 4/20 0.47
HTR2A P28223 1/20 0.46

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
SCHEMBL11062767 0.82 MAOA (0.66) MAOBMAOADRD2DRD4DRD3
Iodide SCHEMBL11070555 0.81 APOBEC3A (0.43) DRD2DRD4DRD3
Iodide SCHEMBL11360009 0.81 DRD2 (0.68) MAOBMAOADRD2DRD4DRD3
Iodide SCHEMBL11067095 0.80 MAOB (0.57) MAOBMAOADRD2DRD4DRD3
Hydrochloric Acid SCHEMBL11070160 0.78 MAOB (0.57) MAOBMAOADRD2
Hydrochloric Acid SCHEMBL11063001 0.76 MAOB (0.65) MAOBMAOADRD2
SCHEMBL11070987 0.75 DRD2 (0.60) MAOBMAOADRD2DRD4DRD3
SCHEMBL11072960 0.74 KCNH2 (0.51) MAOBMAOADRD2DRD4DRD3
Iodide SCHEMBL11068297 0.74 DRD2 (0.58) MAOBMAOADRD2DRD4DRD3
SCHEMBL11064821 0.74 MAOA (0.65) 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