Iodide

Iodide

SCHEMBL9011279

CCC(NC(=O)c1cc2ccccc2[n+](C)c1)C(=O)C1CCCCC1.[I-]

nearest known ligand 0.39

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 9)

geneUniProtsupporting neighboursconfidence
ACHE known ✓ P22303 2/20 0.39
TERT O14746 2/20 0.37
CTSK P43235 3/20 0.36
CTSL P07711 2/20 0.36
CTSS P25774 2/20 0.36
CTSB P07858 1/20 0.36
CCR1 P32246 3/20 0.34
HTRA1 Q92743 2/20 0.34
USP30 Q70CQ3 1/20 0.33

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 SCHEMBL9011384 0.78 ACE (0.45) ACHETERTCTSKCTSL
SCHEMBL9011326 0.77 CCR1 (0.51) CCR1
Iodide SCHEMBL9011273 0.76 ACHE (0.41) ACHETERT
Iodide SCHEMBL23630248 0.66 TERT (0.48) ACHETERT
SCHEMBL23630253 0.65 TERT (0.49) ACHETERT
SCHEMBL14621735 0.65 TERT (0.49) ACHETERT
SCHEMBL14067732 0.64 ACHE (0.54) ACHETERT
SCHEMBL12426334 0.64 ACHE (0.48) ACHETERT
SCHEMBL14067703 0.64 TERT (0.48) ACHETERT
SCHEMBL14067678 0.63 ALDH1A1 (0.54) ACHETERT

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5525727-A ANALGESIC OR NARCOTIC ANTAGONIST UNIVERSITY OF FLORIDA (US) 1996-06-11 US disclosed
US-5187158-A Sustained delivery of viricides UNIVERSITY OF FLORIDA (US) 1993-02-16 US disclosed
US-5008257-A Penicillin or cephalosporin antibiotics UNIVERSITY OF FLORIDA (US) 1991-04-16 US disclosed
US-4900837-A Brain-specific drug delivery of steroid sex hormones cleaved from pyridinium carboxylates and dihydro-pyridine carboxylate precursors UNIVERSITY OF FLORIDA (US) 1990-02-13 US disclosed
US-4880921-A Brain-specific drug delivery UNIVERSITY OF FLORIDA (US) 1989-11-14 US disclosed
US-4824850-A DIHYDROPYRIDINE-PYRIDINIUM SALT REDOX CARRIER UNIVERSITY OF FLORIDA (US) 1989-04-25 US disclosed