Oxalic Acid

Oxalic Acid

SCHEMBL10691878

CNS(=O)(=O)CCCc1ccc2[nH]cc(CCN(C)C)c2c1.O=C(O)C(=O)O

nearest known ligand 0.70

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

OPRM1SLC6A4

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

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC6A4 known ✓ P31645 1/20 0.50
HTR1A P08908 8/20 0.70
HTR1D P28221 6/20 0.70
HTR1B P28222 5/20 0.70
HTR5A P47898 3/20 0.70
HTR2A P28223 3/20 0.70
HTR7 P34969 2/20 0.70
HTR2B P41595 2/20 0.70
HTR2C P28335 2/20 0.70
HTR1E P28566 1/20 0.70
HTR1F P30939 1/20 0.70
HTR3A P46098 1/20 0.70
SLC47A1 Q96FL8 1/20 0.70
HTR6 P50406 1/20 0.57
KMT2A Q03164 1/20 0.56
LMNA P02545 1/20 0.52
ADRA2B P18089 1/20 0.52
KCNH2 Q12809 1/20 0.52

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
SCHEMBL10691110 0.95 HTR1A (0.77) HTR1AHTR1DHTR1BHTR5AHTR2A
Oxalic Acid SCHEMBL9800389 0.94 HTR1A (0.72) HTR1AHTR1DHTR1BHTR5AHTR2A
Hydrochloric Acid SCHEMBL9800405 0.88 HTR1A (0.77) HTR1AHTR1DHTR1BHTR5AHTR2A
Hydrochloric Acid SCHEMBL9800422 0.88 HTR1A (0.77) HTR1AHTR1DHTR1BHTR5AHTR2A
SCHEMBL9800349 0.88 HTR1A (0.80) HTR1AHTR1DHTR1BHTR5AHTR2A
Hydrochloric Acid SCHEMBL9800365 0.87 HTR1A (0.79) HTR1AHTR1DHTR1BHTR5AHTR2A
Oxalic Acid SCHEMBL10694420 0.84 HTR1A (0.61) HTR1AHTR1DHTR1BHTR5AHTR2A
Sumatriptan SCHEMBL6689001 0.83 HTR1A (0.87) HTR1AHTR1DHTR1BHTR5AHTR2A
Oxalic Acid SCHEMBL9800367 0.83 KMT2A (0.60) HTR1AHTR1DHTR1BHTR5AHTR2A
Oxalic Acid SCHEMBL10695674 0.83 HTR1A (0.61) HTR1AHTR1DHTR1BHTR5AHTR2A

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
US-4785016-A VASOCONSTRICTION, MIGRAINES ALKANEAMINO, ALKANE SULFONAMIDE INDOLES GLAXO GROUP LIMITED (GB) 1988-11-15 US disclosed