Sugi Predict

Sugi Predict / Compounds / Iodide

Iodide

Iodide

SCHEMBL7925879

CC1C(Cc2ccc(NC(=O)C3=Cc4cc(-c5ccc(N6CCCCC6)cc5)ccc4OCC3)cc2)OCCC1(C)N.I

nearest known ligand 0.51

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 1)

geneUniProtsupporting neighboursconfidence
▸ CCR5 P51681 20/20 0.51

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 SCHEMBL5247643 0.90 CCR5 (0.53) CCR5
Iodide SCHEMBL7681114 0.89 CCR5 (0.63) CCR5
Iodide SCHEMBL7619257 0.89 CCR5 (0.62) CCR5
Iodide SCHEMBL7624169 0.87 CCR5 (0.60) CCR5
Iodide SCHEMBL7628545 0.86 CCR5 (0.61) CCR5
Iodide SCHEMBL7678820 0.78 CCR5 (0.59) CCR5
SCHEMBL5208303 0.77 CCR2 (0.64) CCR5
Iodide SCHEMBL7923533 0.77 CCR5 (0.80) CCR5
SCHEMBL5204027 0.77 CCR2 (0.65) CCR5
Iodide SCHEMBL27547631 0.75 CCR5 (0.54) CCR5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1086146-A1 CATALYST SYSTEM TARGOR GmbH (DE) 2001-03-28 — — EP claimed
WO-1999061488-A1 CATALYST SYSTEM TARGOR GMBH (DE) 1999-12-02 — — WO claimed
EP-1053263-A1 CATALYST SYSTEM Basell Polyolefine GmbH (DE) 2000-11-22 — — EP disclosed
WO-2000020466-A1 CATALYST SYSTEM TARGOR GMBH (DE) 2000-04-13 — — WO disclosed
WO-1999040129-A1 CATALYST SYSTEM TARGOR GMBH (DE) 1999-08-12 — — WO disclosed