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Lithium Ion

Lithium Ion

SCHEMBL1007740

CC(C)(C)[Si](C)(C)OC[C@H]1COCCN1c1nc2c(C(=O)[O-])cccc2o1.[Li+]

nearest known ligand 0.49

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 3)

geneUniProtsupporting neighboursconfidence
▸ HTR3A P46098 19/20 0.49
▸ KCNH2 Q12809 4/20 0.40
▸ CYP2C19 P33261 1/20 0.32

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
SCHEMBL1008075 0.92 HTR3A (0.50) HTR3AKCNH2CYP2C19
SCHEMBL1008074 0.92 HTR3A (0.50) HTR3AKCNH2CYP2C19
SCHEMBL1007741 0.91 HTR3A (0.49) HTR3AKCNH2CYP2C19
SCHEMBL1007165 0.90 HTR3A (0.51) HTR3AKCNH2
SCHEMBL1007163 0.90 HTR3A (0.51) HTR3AKCNH2
SCHEMBL1005124 0.82 HTR3A (0.78) HTR3AKCNH2CYP2C19
Lithium Ion SCHEMBL1003491 0.80 HTR3A (0.64) HTR3AKCNH2CYP2C19
Lithium Ion SCHEMBL1004902 0.80 HTR3A (0.64) HTR3AKCNH2CYP2C19
SCHEMBL1004971 0.76 HTR3A (0.66) HTR3AKCNH2
SCHEMBL1004970 0.76 HTR3A (0.66) HTR3AKCNH2

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-7863271-B2 2-aminobenzoxazole carboxamides as 5HT3 modulators ALBANY MOLECULAR RESEARCH, INC. (US) 2011-01-04 — — US disclosed