Lithium Ion

Lithium Ion

SCHEMBL7705019

CCOc1ccc2c(c1)CC[C@H](CN(C)CC(=O)[O-])[C@@H]2c1ccc(F)cc1.[Li+]

nearest known ligand 0.56

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

GSK3AGSK3BIMPA1

The experimentally established mechanism targets of Lithium Ion. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 2/20 0.56
PPARD Q03181 4/20 0.41
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA7 P43166 2/20 0.39
CA9 Q16790 2/20 0.39
CA14 Q9ULX7 2/20 0.39
ESR1 P03372 2/20 0.38
HTR6 P50406 1/20 0.36
PPARA Q07869 9/20 0.36
PPARG P37231 5/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36

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
Lithium Ion SCHEMBL7706037 0.91 SLC6A9 (0.69) SLC6A9PPARDCA1CA2CA9
Lithium Ion SCHEMBL7704525 0.91 SLC6A9 (0.69) SLC6A9PPARDCA1CA2CA7
Lithium Ion SCHEMBL7698371 0.88 SLC6A9 (0.53) SLC6A9ESR1HTR6
Lithium Ion SCHEMBL7703313 0.84 SLC6A9 (0.74) SLC6A9PPARDCA1CA2CA7
Lithium Ion SCHEMBL7702956 0.84 SLC6A9 (0.49) SLC6A9HTR6
SCHEMBL1761264 0.82 SLC6A9 (0.81) SLC6A9PPARDPPARAPPARG
Lithium Ion SCHEMBL7703444 0.82 SLC6A9 (0.62) SLC6A9HTR6
Lithium Ion SCHEMBL7706198 0.82 SLC6A9 (0.46) SLC6A9HTR6
Lithium Ion SCHEMBL7704198 0.82 SLC6A9 (0.51) SLC6A9
Lithium Ion SCHEMBL7706192 0.81 SLC6A9 (0.64) SLC6A9PPARDCA1CA2CA7

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-1100769-B1 AMINOMETHYLCARBOXYLIC ACID DERIVATIVES AKZO NOBEL NV (NL) 2002-12-04 EP disclosed
US-6410592-B1 THERAPY FOR CENTRAL NERVOUS SYSTEM DISORDERS, PSYCHOLOGICAL DISORDERS AKZO NOBEL N.V. (NL) 2002-06-25 US disclosed