Lithium Ion

Lithium Ion

SCHEMBL7986184

O=C([O-])CCCOc1ccc(-c2sc3ccccc3c2Cc2ccc(CN3CCCC3)cc2)cc1.[Li+]

nearest known ligand 0.59

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 6)

geneUniProtsupporting neighboursconfidence
F2 P00734 10/20 0.59
ESR1 P03372 6/20 0.47
ESR2 Q92731 6/20 0.47
ITGA4 P13612 1/20 0.47
HRH3 Q9Y5N1 2/20 0.43
NPY1R P25929 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
SCHEMBL7986180 0.90 F2 (0.60) F2ESR1ESR2ITGA4HRH3
SCHEMBL7983523 0.89 F2 (0.59) F2ESR1ESR2ITGA4
SCHEMBL6595837 0.85 F2 (0.76) F2ESR1ESR2ITGA4HRH3
Hydrochloric Acid SCHEMBL7413076 0.83 F2 (0.60) F2ESR1ESR2ITGA4
Hydrochloric Acid SCHEMBL6173647 0.83 F2 (0.60) F2ESR1ESR2ITGA4
SCHEMBL6605496 0.83 F2 (0.53) F2ESR1ESR2ITGA4
SCHEMBL7983864 0.82 F2 (0.52) F2ESR1ESR2ITGA4
SCHEMBL7972400 0.82 ESR1 (0.59) F2ESR1ESR2ITGA4
SCHEMBL7422725 0.81 F2 (0.58) F2ESR1ESR2ITGA4
SCHEMBL6596926 0.81 ITGA4 (0.69) F2ESR1ESR2ITGA4

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-6284756-B1 ANTICOAGULANT ELI LILLY AND COMPANY 2001-09-04 US disclosed