Iodide

Iodide

SCHEMBL11071817

C[N+]1(CC(O)COc2cc3c(cc2Cl)CCC(=O)N3)CCC(c2ccccc2)CC1.[I-]

nearest known ligand 0.46

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 19)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 3/20 0.46
CYP19A1 P11511 2/20 0.35
CYP11B1 P15538 2/20 0.35
CYP11B2 P19099 2/20 0.35
KCNH2 Q12809 1/20 0.35
ADRB2 P07550 1/20 0.35
ADRB1 P08588 1/20 0.35
HTR1A P08908 1/20 0.35
OPRK1 P41145 1/20 0.35
TRPV1 Q8NER1 3/20 0.35
SCN1A P35498 1/20 0.35
SCN5A Q14524 1/20 0.35
SCN9A Q15858 1/20 0.35
OPRL1 P41146 2/20 0.34
MAOA P21397 2/20 0.34
MAOB P27338 2/20 0.34
KDM1A O60341 1/20 0.33
PDE3B Q13370 1/20 0.33
PDE3A Q14432 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
Hydrochloric Acid SCHEMBL11065038 0.83 MAOB (0.48) SLC18A3TRPV1MAOAMAOB
Hydrochloric Acid SCHEMBL11060253 0.82 SLC18A3 (0.42) SLC18A3CYP19A1CYP11B1CYP11B2TRPV1
Iodide SCHEMBL11065747 0.82 ADRB1 (0.54) SLC18A3KCNH2ADRB2ADRB1HTR1A
Hydrochloric Acid SCHEMBL11073701 0.73 DRD2 (0.49) MAOAMAOB
Hydrochloric Acid SCHEMBL11070395 0.73 SLC18A3 (0.46) SLC18A3ADRB2ADRB1HTR1AOPRK1
SCHEMBL11069036 0.71 SCN1A (0.52) SLC18A3KCNH2HTR1ASCN1ASCN5A
Iodide SCHEMBL11064087 0.71 ADRB1 (0.51) SLC18A3KCNH2ADRB2ADRB1HTR1A
Iodide SCHEMBL11067528 0.71 SLC18A3 (0.47) SLC18A3TRPV1
Iodide SCHEMBL11067095 0.70 MAOB (0.57) MAOAMAOB
Hydrochloric Acid SCHEMBL11073533 0.70 DRD2 (0.44) MAOAMAOB

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