Iodide

SCHEMBL9710506

CC(C)C[C@](N)(C(=O)N[C@@H](Cc1ccc(C(=N)N)cc1)C(=O)N1CCC[C@H]1C(=O)OC(C)(C)C)S(=O)(=O)c1ccc2ccccc2c1.I

nearest known ligand 0.48

Known targets — ChEMBL curated mechanism

ACHE CHRM1 CHRM3 CHRNA1 CHRNB1 CHRND CHRNE CHRNG

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)

	gene	UniProt	supporting neighbours	confidence
▸	F10	P00742	12/20	0.48

▸	F2	P00734	3/20	0.44

▸	PLAU	P00749	4/20	0.43

▸	PRSS1	P07477	1/20	0.43

▸	ACE	P12821	1/20	0.43

▸	PLAT	P00750	1/20	0.40

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.

Compound	similarity	top predicted	shared targets
SCHEMBL9710492	0.99	F10 (0.48)	F10F2PLAUPRSS1ACE
SCHEMBL9710885	0.89	ACE (0.43)	F10F2PRSS1ACE
SCHEMBL9710401	0.88	ACE (0.41)	F10F2PRSS1ACE
SCHEMBL9710680	0.77	F10 (0.51)	F10F2PLAUPRSS1
SCHEMBL9710703	0.74	CA2 (0.46)	F10F2PRSS1
SCHEMBL9710610	0.74	F10 (0.57)	F10F2PLAUPRSS1
Hydrochloric Acid SCHEMBL9710860	0.73	F10 (0.56)	F10F2PLAUPRSS1
SCHEMBL17081787	0.73	ACE (0.56)	F2PRSS1ACE
SCHEMBL10021917	0.73	ACE (0.56)	F2PRSS1ACE
SCHEMBL10053455	0.73	ACE (0.56)	F2PRSS1ACE

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.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
WO-1992016549-A1	PARASUBSTITUTED PHENYLALANINE DERIVATES	PENTAPHARM AG (CH)	1992-10-01	—	—	WO	disclosed