Bicarbonate

Bicarbonate

SCHEMBL17907822

O=C(CC1CCCCC1)N1CCc2c(n(Cc3cccc(C(F)F)c3)c3ncccc23)C1.O=C(O)O

nearest known ligand 0.68

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

GSK3AGSK3BIMPA1

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

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 20/20 0.68

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
Bicarbonate SCHEMBL17907784 0.92 ENPP2 (0.69) ENPP2
SCHEMBL17907832 0.92 ENPP2 (0.82) ENPP2
SCHEMBL17907820 0.92 ENPP2 (0.82) ENPP2
Bicarbonate SCHEMBL17907662 0.91 ENPP2 (0.68) ENPP2
SCHEMBL17907782 0.89 ENPP2 (0.76) ENPP2
SCHEMBL15418032 0.89 ENPP2 (0.76) ENPP2
Bicarbonate SCHEMBL17907681 0.85 ENPP2 (0.58) ENPP2
SCHEMBL17907680 0.84 ENPP2 (0.75) ENPP2
Bicarbonate SCHEMBL17907666 0.83 ENPP2 (0.63) ENPP2
SCHEMBL17907700 0.83 ENPP2 (0.75) ENPP2

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
EP-2687531-B1 TETRAHYDROCARBOLINE DERIVATIVE ONO PHARMACEUTICAL CO (JP) 2016-07-13 EP claimed