Iodide

Iodide

SCHEMBL9309264

CCCCCCCCCCOc1ccc(CC(=O)NCc2ccc[n+](CCC)c2)c(OC)c1.[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
CNR1 P21554 2/20 0.47
CNR2 P34972 2/20 0.47
EPHX2 P34913 2/20 0.42
HCRTR2 O43614 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
KCNH2 Q12809 1/20 0.41

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 SCHEMBL9307011 1.00 CNR1 (0.47) CNR1CNR2EPHX2HCRTR2NPSR1
Iodide SCHEMBL9306630 0.94 CNR1 (0.47) CNR1CNR2EPHX2HCRTR2NPSR1
Iodide SCHEMBL9305452 0.94 CNR1 (0.47) CNR1CNR2EPHX2HCRTR2NPSR1
Iodide SCHEMBL9306841 0.90 CNR1 (0.50) CNR1CNR2EPHX2NPSR1KCNH2
Iodide SCHEMBL9306405 0.90 CNR1 (0.50) CNR1CNR2EPHX2NPSR1KCNH2
Iodide SCHEMBL9306014 0.88 CNR2 (0.41) CNR2EPHX2NPSR1
Iodide SCHEMBL9306323 0.88 CNR2 (0.41) CNR2EPHX2NPSR1
Iodide SCHEMBL9306321 0.87 THRA (0.48) CNR2
Iodide SCHEMBL9306341 0.87 THRA (0.48) CNR2
Iodide SCHEMBL9309311 0.85 HSD17B10 (0.55) CNR1CNR2EPHX2NPSR1

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-5328921-A Antagonist of platelet activating factor AMERICAN CYANAMID COMPANY (US) 1994-07-12 US disclosed