Bicarbonate

Bicarbonate

SCHEMBL9236554

Cl.O=C(NC1CCCCC1)c1ccc(C(=O)NC2CCN(Cc3ccccc3)CC2)cc1.O=C(O)O

nearest known ligand 0.77

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 20)

geneUniProtsupporting neighboursconfidence
TMEM97 Q5BJF2 2/20 0.76
SIGMAR1 Q99720 2/20 0.76
SLC6A12 P48065 2/20 0.76
MCHR1 Q99705 1/20 0.76
CYP1A2 P05177 1/20 0.76
CYP3A4 P08684 1/20 0.76
CYP2D6 P10635 1/20 0.76
CYP2C9 P11712 1/20 0.76
TSHR P16473 1/20 0.76
MAPK1 P28482 1/20 0.76
CYP2C19 P33261 1/20 0.76
KMT2A Q03164 2/20 0.72
KCNH2 Q12809 1/20 0.72
MEN1 O00255 1/20 0.72
DRD4 P21917 3/20 0.69
SLC6A13 Q9NSD5 1/20 0.69
SMN1; SMN2 Q16637 2/20 0.68
NPC1 O15118 1/20 0.68
RAB9A P51151 1/20 0.68
LMNA P02545 1/20 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
SCHEMBL61848 0.90 TMEM97 (0.83) TMEM97SIGMAR1SLC6A12MCHR1CYP1A2
SCHEMBL694949 0.90 SIGMAR1 (0.82) TMEM97SIGMAR1SLC6A12MCHR1CYP1A2
Hydrochloric Acid SCHEMBL9785680 0.88 SIGMAR1 (0.97) TMEM97SIGMAR1SLC6A12MCHR1CYP1A2
SCHEMBL61320 0.87 TMEM97 (0.68) TMEM97SIGMAR1SLC6A12MCHR1CYP1A2
SCHEMBL7218186 0.87 DRD4 (0.86) TMEM97SIGMAR1SLC6A12MCHR1CYP1A2
SCHEMBL2233466 0.87 KCNH2 (0.80) TMEM97SIGMAR1SLC6A12MCHR1CYP1A2
SCHEMBL7224869 0.86 SIGMAR1 (0.77) TMEM97SIGMAR1SLC6A12MCHR1CYP1A2
SCHEMBL8274001 0.86 MEN1 (0.78) TMEM97SIGMAR1SLC6A12MCHR1CYP1A2
SCHEMBL2233461 0.86 TMEM97 (0.77) TMEM97SIGMAR1SLC6A12MCHR1CYP1A2
SCHEMBL1425074 0.86 SIGMAR1 (1.00) TMEM97SIGMAR1SLC6A12MCHR1CYP1A2

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-0638553-A1 Carboxylic acid amides having a terminal carboxylic acid group as aggregation inhibiting drugs Dr. Karl Thomae GmbH (DE) 1995-02-15 EP disclosed