Oxalic Acid

Oxalic Acid

SCHEMBL7647400

CC(C)Oc1ccccc1N1CCN(CCc2ccc(C(=O)N3CCCCC3)cc2)CC1.O=C(O)C(=O)O

nearest known ligand 0.94

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
ADRA1D P25100 3/20 0.67
ADRA1A P35348 3/20 0.67
ADRA1B P35368 3/20 0.67
HTR1A P08908 1/20 0.65
DRD2 P14416 1/20 0.65
HTR1B P28222 1/20 0.65
DRD3 P35462 1/20 0.65

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
Water SCHEMBL9016003 0.90 ADRA1D (0.64) ADRA1DADRA1AADRA1BHTR1ADRD2
Bromide SCHEMBL7647385 0.90 ADRA1D (0.64) ADRA1DADRA1AADRA1BHTR1ADRD2
Water SCHEMBL9016012 0.90 ADRA1D (0.64) ADRA1DADRA1AADRA1BHTR1ADRD2
Oxalic Acid SCHEMBL7648376 0.89 ADRA1D (0.77) ADRA1DADRA1AADRA1BHTR1ADRD2
SCHEMBL9539641 0.87 HTR1A (0.80) ADRA1DADRA1AADRA1BHTR1ADRD2
SCHEMBL9540919 0.87 ADRA1D (0.82) ADRA1DADRA1AADRA1BHTR1ADRD2
Hydrochloric Acid SCHEMBL7648139 0.86 HTR1A (0.79) ADRA1DADRA1AADRA1BHTR1ADRD2
SCHEMBL9016010 0.83 HTR1A (0.60) ADRA1DADRA1AADRA1BHTR1ADRD2
SCHEMBL7649296 0.81 HTR1A (0.58) ADRA1DADRA1AADRA1BHTR1ADRD2
Fumaric Acid SCHEMBL7646648 0.81 HTR1A (0.55) ADRA1DADRA1AADRA1BHTR1ADRD2

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
EP-0563345-B1 NOVEL 4-ARYLPIPERAZINES AND 4-ARYLPIPERIDINES MCNEILAB INC (US) 2002-07-03 EP disclosed
US-5569659-A ANTIPSYCHOTIC AGENT MCNEILAB, INC. (US) 1996-10-29 US disclosed
EP-0563345-A1 NOVEL 4-ARYLPIPERAZINES AND 4-ARYLPIPERIDINES MCNEILAB, INC. (US) 1993-10-06 EP disclosed
WO-1993004682-A1 NOVEL 4-ARYLPIPERAZINES AND 4-ARYLPIPERIDINES MCNEILAB, INC. (US) 1993-03-18 WO disclosed