Oxalic Acid

Oxalic Acid

SCHEMBL10101

COc1ccc(OC(CCN(C)C)c2cccs2)cc1.O=C(O)C(=O)O

nearest known ligand 0.47

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 9)

geneUniProtsupporting neighboursconfidence
SLC6A4 known ✓ P31645 1/20 0.44
SLC6A9 P48067 3/20 0.47
CACNA2D1 P54289 3/20 0.47
HRH3 Q9Y5N1 1/20 0.44
UTS2R Q9UKP6 2/20 0.43
SLC7A5 Q01650 1/20 0.42
RECQL P46063 1/20 0.41
ALDH1A1 P00352 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40

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
Oxalic Acid SCHEMBL3485 0.91 SLC6A9 (0.47) SLC6A9CACNA2D1SLC6A4HRH3SLC7A5
Oxalic Acid SCHEMBL10450 0.89 SLC6A9 (0.48) SLC6A9CACNA2D1SLC6A4HRH3UTS2R
Oxalic Acid SCHEMBL10359897 0.87 SLC6A4 (0.62) SLC6A9CACNA2D1SLC6A4HRH3UTS2R
Citric Acid SCHEMBL7763981 0.87 SLC6A9 (0.41) SLC6A9CACNA2D1SLC6A4HRH3UTS2R
Oxalic Acid SCHEMBL3993 0.83 CACNA2D1 (0.58) CACNA2D1SLC6A4
SCHEMBL19553331 0.79 SLC7A5 (0.41) SLC6A9CACNA2D1SLC7A5
SCHEMBL19553332 0.79 SLC7A5 (0.41) SLC6A9CACNA2D1SLC7A5
SCHEMBL7439700 0.79 SLC6A4 (0.67) SLC6A9CACNA2D1SLC6A4HRH3SLC7A5
SCHEMBL13476290 0.79 CACNA2D1 (0.55) CACNA2D1SLC6A4HRH3UTS2RSLC7A5
SCHEMBL2600190 0.79 CACNA2D1 (0.55) CACNA2D1SLC6A4HRH3UTS2RSLC7A5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5023269-A 3-aryloxy-3-substituted propanamines ELI LILLY AND COMPANY (US) 1991-06-11 US disclosed
EP-0273658-B1 3-ARYLOXY-3-SUBSTITUTED PROPANAMINES ELI LILLY AND COMPANY (US) 1990-10-31 EP disclosed
US-4956388-A ANTIDEPRESSANTS, ANTIANXIETY, TREATMENT OF OBESITY, ADDICTION TO SMOKING AND ALCOHOL ELI LILLY AND COMPANY (US) 1990-09-11 US disclosed
EP-0273658-A1 3-Aryloxy-3-substituted propanamines ELI LILLY AND COMPANY (US) 1988-07-06 EP disclosed