Oxalic Acid

Oxalic Acid

SCHEMBL7313142

CCCCNCC1CCc2ccc(OC)cc2O1.O=C(O)C(=O)O

nearest known ligand 0.85

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 8)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.70
DRD1 P21728 1/20 0.70
DRD4 P21917 1/20 0.70
DRD5 P21918 1/20 0.70
DRD3 P35462 1/20 0.70
HTR1A P08908 1/20 0.58
HTR1D P28221 1/20 0.58
HTR6 P50406 1/20 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
SCHEMBL7319400 0.94 HTR1A (0.64) DRD2DRD1DRD4DRD5DRD3
SCHEMBL7315046 0.90 DRD2 (0.64) DRD2DRD1DRD4DRD5DRD3
SCHEMBL7323697 0.87 HTR1A (0.61) DRD2DRD1DRD4DRD5DRD3
SCHEMBL8845097 0.86 HTR6 (0.70) HTR1AHTR1DHTR6
SCHEMBL7320065 0.84 DRD2 (0.68) DRD2DRD1DRD4DRD5DRD3
Oxalic Acid SCHEMBL7320058 0.83 DRD2 (0.98) DRD2DRD1DRD4DRD5DRD3
SCHEMBL8845133 0.82 HTR6 (0.66) DRD2DRD1DRD4DRD5DRD3
SCHEMBL8844813 0.82 HTR6 (0.63) HTR1AHTR1DHTR6
SCHEMBL8844926 0.81 HTR6 (0.64) HTR1AHTR1DHTR6
SCHEMBL7316568 0.81 DRD2 (0.57) DRD2DRD1DRD4DRD5DRD3

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-5684039-A Chroman-2-ylmethylamino derivatives AMERICAN HOME PRODUCTS CORPORATION (US) 1997-11-04 US disclosed