Oxalic Acid

Oxalic Acid

SCHEMBL10693370

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

nearest known ligand 0.71

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 3/20 0.71
OPRM1 known ✓ P35372 1/20 0.56
KMT2A Q03164 1/20 0.70
HTR1A P08908 6/20 0.63
HTR2A P28223 4/20 0.63
HTR2C P28335 4/20 0.63
HTR1D P28221 10/20 0.62
MTNR1A P48039 2/20 0.60
MTNR1B P49286 2/20 0.60
HTR1B P28222 8/20 0.59
MPO P05164 1/20 0.59
HTR1E P28566 3/20 0.56
HTR7 P34969 3/20 0.56
HTR2B P41595 3/20 0.56
HTR5A P47898 3/20 0.56
HTR6 P50406 3/20 0.56
HTR3E A5X5Y0 2/20 0.56
HTR3B O95264 2/20 0.56
HTR1F P30939 2/20 0.56
HTR3A P46098 2/20 0.56

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
SCHEMBL29471382 0.92 SLC6A4 (0.83) SLC6A4HTR1AHTR2AHTR2CHTR1D
SCHEMBL517473 0.92 SLC6A4 (0.83) SLC6A4HTR1AHTR2AHTR2CHTR1D
Oxalic Acid SCHEMBL8870089 0.87 KMT2A (0.73) SLC6A4KMT2AHTR1AHTR2AHTR2C
Bufotenine SCHEMBL5832731 0.85 HTR1A (0.86) SLC6A4KMT2AHTR1AHTR2AHTR2C
Oxalic Acid SCHEMBL9805661 0.84 SLC6A4 (0.71) SLC6A4KMT2AHTR1AHTR2AHTR2C
SCHEMBL3377485 0.83 SLC6A4 (1.00) SLC6A4HTR1AHTR2AHTR2CHTR1D
Mebufotenin SCHEMBL7205139 0.82 KMT2A (1.00) SLC6A4KMT2AHTR1AHTR2AHTR2C
SCHEMBL14631651 0.82 HTR2A (0.59) SLC6A4KMT2AHTR1AHTR2AHTR2C
SCHEMBL8785730 0.81 HTR7 (0.68) SLC6A4KMT2AHTR1AHTR2AHTR2C
SCHEMBL18824168 0.80 HTR2A (0.68) SLC6A4HTR1AHTR2AHTR2CHTR1D

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