Iodide

Iodide

SCHEMBL9666229

I.N=C(N)c1cccc(C[C@](N)(C(=O)N2CCC(OC(=O)O)C3CCCCC32)S(=O)(=O)c2ccc3ccccc3c2)c1

nearest known ligand 0.49

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 8)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 14/20 0.49
▸ PLG P00747 5/20 0.44
▸ PROC P04070 1/20 0.44
▸ ST14 Q9Y5Y6 2/20 0.43
▸ HPN P05981 1/20 0.43
▸ HGFAC Q04756 1/20 0.43
▸ PLAU P00749 4/20 0.43
▸ F2 P00734 1/20 0.43

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
SCHEMBL9664145 0.99 F10 (0.50) F10PLGPROCST14HPN
SCHEMBL9710120 0.90 F10 (0.38) F10PLGF2
Iodide SCHEMBL8954868 0.89 F10 (0.51) F10PLGPROCST14HPN
SCHEMBL9666086 0.89 F10 (0.42) F10PLGPROCST14HPN
SCHEMBL8954880 0.88 F10 (0.52) F10PLGPROCST14HPN
SCHEMBL9665755 0.86 CASR (0.38) F10F2
SCHEMBL9710184 0.85 F10 (0.38) F10PLGF2
SCHEMBL9665283 0.82 F10 (0.48) F10PLGPROCST14HPN
Hydrochloric Acid SCHEMBL9664047 0.81 F10 (0.48) F10PLGPROCST14HPN
Hydrochloric Acid SCHEMBL8954922 0.81 F10 (0.51) F10PLGPROCST14HPN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0511347-A1 META-SUBSTITUTED PHENYL ALANINE DERIVATIVES Pentapharm A.G. (CH) 1992-11-04 — — EP disclosed
WO-1992008709-A1 META-SUBSTITUTED PHENYL ALANINE DERIVATIVES PENTAPHARM AG (CH) 1992-05-29 — — WO disclosed
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