Bicarbonate

Bicarbonate

SCHEMBL1121900

CCOc1cc(CN2CCC(Nc3nc4cc(OC5CCC5)ccc4o3)CC2)cc(OCC)c1-n1cccc1.O=C(O)O

nearest known ligand 0.67

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 5)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 20/20 0.67
HRH1 P35367 7/20 0.67
SSTR1 P30872 3/20 0.60
KCNH2 Q12809 2/20 0.58
HTR2B P41595 2/20 0.57

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
SCHEMBL1121817 0.90 SSTR5 (0.70) SSTR5HRH1SSTR1KCNH2HTR2B
SCHEMBL1121344 0.89 SSTR5 (0.70) SSTR5HRH1SSTR1KCNH2HTR2B
SCHEMBL1121733 0.88 SSTR5 (0.70) SSTR5HRH1SSTR1KCNH2HTR2B
SCHEMBL1121527 0.87 SSTR5 (0.73) SSTR5HRH1SSTR1KCNH2HTR2B
SCHEMBL1121445 0.87 SSTR5 (0.67) SSTR5HRH1SSTR1KCNH2HTR2B
SCHEMBL1121525 0.87 SSTR5 (0.69) SSTR5HRH1SSTR1KCNH2HTR2B
SCHEMBL1121675 0.87 SSTR5 (0.65) SSTR5HRH1SSTR1KCNH2HTR2B
SCHEMBL1121289 0.87 SSTR5 (0.80) SSTR5HRH1SSTR1KCNH2HTR2B
SCHEMBL1121440 0.86 SSTR5 (0.71) SSTR5HRH1SSTR1KCNH2HTR2B
SCHEMBL4943961 0.86 SSTR5 (0.75) SSTR5HRH1SSTR1KCNH2HTR2B

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-1924579-B1 BENZOOXAZOLE, OXAZOLOPYRIDINE, BENZOTHIAZOLE AND THIAZOLOPYRIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2011-02-09 EP claimed