Oxalic Acid

Oxalic Acid

SCHEMBL3801

CN(C)CCC(Oc1ccc(C(F)(F)F)cc1)c1ccco1.O=C(O)C(=O)O

nearest known ligand 0.62

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 7)

geneUniProtsupporting neighboursconfidence
SLC6A4 known ✓ P31645 3/20 0.62
OPRM1 known ✓ P35372 1/20 0.46
HRH3 Q9Y5N1 3/20 0.62
SLC6A9 P48067 11/20 0.55
OPRD1 P41143 1/20 0.46
UTS2R Q9UKP6 2/20 0.44
CCR2 P41597 1/20 0.42

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
SCHEMBL3266 0.93 SLC6A4 (0.67) SLC6A4HRH3SLC6A9OPRM1
Oxalic Acid SCHEMBL3529 0.87 SLC6A4 (0.46) SLC6A4HRH3SLC6A9
Oxalic Acid SCHEMBL3554 0.84 SLC6A4 (0.62) SLC6A4HRH3SLC6A9OPRM1OPRD1
Oxalic Acid SCHEMBL7317614 0.84 SLC6A4 (0.88) SLC6A4HRH3SLC6A9OPRM1
SCHEMBL5083167 0.80 SLC6A4 (0.50) SLC6A4HRH3
Oxalic Acid SCHEMBL10359897 0.80 SLC6A4 (0.62) SLC6A4HRH3SLC6A9UTS2RCCR2
Oxalic Acid SCHEMBL4740319 0.80 SLC6A4 (0.72) SLC6A4HRH3SLC6A9UTS2R
SCHEMBL3802 0.78 OPRM1 (0.48) SLC6A4HRH3SLC6A9OPRM1OPRD1
Fumaric Acid SCHEMBL7769270 0.78 SLC6A4 (0.58) SLC6A4HRH3SLC6A9OPRM1OPRD1
Maleic Acid SCHEMBL7769265 0.78 SLC6A4 (0.58) SLC6A4HRH3SLC6A9OPRM1OPRD1

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