Bicarbonate

Bicarbonate

SCHEMBL17685157

C[C@H](N)CCCCN(Cc1nccn1CC(=O)N(CC(=O)OC(C)(C)C)CC(=O)OC(C)(C)C)Cc1nccn1CC(=O)N(CC(=O)OC(C)(C)C)CC(=O)OC(C)(C)C.O=C(O)O

nearest known ligand 0.33

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 3)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 4/20 0.33
CASR P41180 1/20 0.32
CXCR4 P61073 1/20 0.31

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
SCHEMBL1741957 0.92 ARG1 (0.39) FPR2CASRCXCR4
SCHEMBL1741950 0.92 ARG1 (0.39) FPR2CASRCXCR4
SCHEMBL15501036 0.92 ARG1 (0.39) FPR2CASRCXCR4
SCHEMBL17685156 0.90 CASR (0.31) FPR2CASR
SCHEMBL2834770 0.86 TBXAS1 (0.31) FPR2CASRCXCR4
SCHEMBL1741937 0.82 ARG1 (0.43) FPR2CXCR4
SCHEMBL1741941 0.82 ARG1 (0.43) FPR2CXCR4
SCHEMBL11937134 0.81 FPR2 (0.34) FPR2
SCHEMBL17690537 0.80 FPR2 (0.36) FPR2CXCR4
SCHEMBL16374660 0.80 CXCR4 (0.33) CXCR4

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-2706057-B1 Bis(imidazolyl)compounds and radionuclide complexes MOLECULAR INSIGHT PHARM INC (US) 2016-04-20 EP claimed