Lithium Ion

Lithium Ion

SCHEMBL7706037

COc1ccc2c(c1)CC[C@H](CN(C)CC(=O)[O-])[C@@H]2c1ccc(F)cc1.[Li+]

nearest known ligand 0.69

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 20)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 2/20 0.69
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
HSD17B2 P37059 2/20 0.39
SLC10A2 Q12908 1/20 0.37
HTR6 P50406 1/20 0.37
ESR1 P03372 2/20 0.37
NPC1 O15118 1/20 0.37
MAPK1 P28482 1/20 0.37
RAB9A P51151 1/20 0.37
PPARD Q03181 2/20 0.37
NQO2 P16083 1/20 0.36
MTNR1A P48039 1/20 0.36
MTNR1B P49286 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 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 SCHEMBL7703313 0.94 SLC6A9 (0.74) SLC6A9CA1CA2CA9CA14
Lithium Ion SCHEMBL7705019 0.91 SLC6A9 (0.56) SLC6A9CA1CA2CA9CA14
Lithium Ion SCHEMBL7706192 0.91 SLC6A9 (0.64) SLC6A9CA1CA2CA9CA14
Org-25935 SCHEMBL7704305 0.90 SLC6A9 (0.85) SLC6A9CA1CA2CA9CA14
Org-25935 SCHEMBL7703028 0.90 SLC6A9 (0.85) SLC6A9CA1CA2CA9CA14
Lithium Ion SCHEMBL7698371 0.90 SLC6A9 (0.53) SLC6A9HTR6ESR1NPC1RAB9A
Lithium Ion SCHEMBL7704515 0.90 SLC6A9 (0.60) SLC6A9CA1CA2HSD17B2HTR6
Lithium Ion SCHEMBL7702956 0.85 SLC6A9 (0.49) SLC6A9HTR6
Lithium Ion SCHEMBL7703444 0.84 SLC6A9 (0.62) SLC6A9HTR6MTNR1AMTNR1B
Lithium Ion SCHEMBL7704198 0.84 SLC6A9 (0.51) SLC6A9MTNR1AMTNR1B

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