Oxalic Acid

Oxalic Acid

SCHEMBL9800367

CN(C)CCc1c[nH]c2ccc(CCS(N)(=O)=O)cc12.O=C(O)C(=O)O

nearest known ligand 0.60

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 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 known ✓ P31645 1/20 0.54
KMT2A Q03164 1/20 0.60
HTR1A P08908 9/20 0.59
HTR1D P28221 7/20 0.59
HTR1B P28222 7/20 0.59
HTR2A P28223 4/20 0.59
HTR2C P28335 4/20 0.59
HTR2B P41595 3/20 0.59
HTR7 P34969 3/20 0.59
HTR5A P47898 3/20 0.59
HTR1E P28566 1/20 0.59
HTR1F P30939 1/20 0.59
HTR3A P46098 1/20 0.59
SLC47A1 Q96FL8 1/20 0.59
ADRA2B P18089 2/20 0.55
LMNA P02545 1/20 0.55
KCNH2 Q12809 1/20 0.55
HTR6 P50406 2/20 0.53
ADRA2A P08913 1/20 0.52
ADRA2C P18825 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
SCHEMBL9800331 0.94 HTR1A (0.66) HTR1AHTR1DHTR1BHTR2AHTR2C
Oxalic Acid SCHEMBL10695674 0.89 HTR1A (0.61) KMT2AHTR1AHTR1DHTR1BHTR2A
Oxalic Acid SCHEMBL9800389 0.87 HTR1A (0.72) KMT2AHTR1AHTR1DHTR1BHTR2A
Oxalic Acid SCHEMBL10694420 0.85 HTR1A (0.61) KMT2AHTR1AHTR1DHTR1BHTR2A
Oxalic Acid SCHEMBL10691226 0.84 HTR1D (0.60) KMT2AHTR1AHTR1DHTR1BHTR2A
SCHEMBL9765118 0.83 HTR1A (0.74) KMT2AHTR1AHTR1DHTR1BHTR2A
Succinic Acid SCHEMBL5164498 0.83 HTR1A (0.64) KMT2AHTR1AHTR1DHTR1BHTR2A
Oxalic Acid SCHEMBL10691878 0.83 HTR1A (0.70) KMT2AHTR1AHTR1DHTR1BHTR2A
SCHEMBL10692235 0.82 HTR1A (0.67) HTR1AHTR1DHTR1BHTR2AHTR2C
Oxalic Acid SCHEMBL10693634 0.82 HTR1A (0.57) KMT2AHTR1AHTR1DHTR1BHTR2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4994483-A 5-substituted-3-aminoalkyl indole derivatives for migraine GLAXO GROUP LIMITED (GB) 1991-02-19 US disclosed
US-4785016-A VASOCONSTRICTION, MIGRAINES ALKANEAMINO, ALKANE SULFONAMIDE INDOLES GLAXO GROUP LIMITED (GB) 1988-11-15 US disclosed