Bicarbonate

Bicarbonate

SCHEMBL5196480

CCN(CC1CCCCC1)c1cc2c(cc1CN(Cc1cc(C#N)cc(C(F)(F)F)c1)c1cc(C)no1)CCCC2.Cl.O=C(O)O

nearest known ligand 0.32

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
CETP P11597 2/20 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
Bicarbonate SCHEMBL5181246 0.99 CETP (0.32) CETP
Hydrochloric Acid SCHEMBL1901294 0.93 TAS2R14 (0.33) CETP
Bicarbonate SCHEMBL5214022 0.93 CETP (0.36) CETP
SCHEMBL4828916 0.93 TAS2R14 (0.33) CETP
Hydrochloric Acid SCHEMBL1904525 0.92 TAS2R14 (0.32) CETP
Bicarbonate SCHEMBL5182760 0.92 CETP (0.36) CETP
SCHEMBL4830749 0.91 TAS2R14 (0.32) CETP
Hydrochloric Acid SCHEMBL1902431 0.87 CETP (0.34) CETP
Hydrochloric Acid SCHEMBL1902526 0.86 RXRA (0.31) CETP
SCHEMBL4831002 0.86 CETP (0.34) CETP

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-1533292-B1 DIBENZYLAMINE COMPOUND AND MEDICINAL USE THEREOF JAPAN TOBACCO INC (JP) 2007-02-14 EP claimed