Oxalic Acid

Oxalic Acid

SCHEMBL9048375

Cn1cc(CCN2CCC(c3c[nH]c4ccc(O)cc34)CC2)cn1.O=C(O)C(=O)O

nearest known ligand 0.56

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
OPRM1 known ✓ P35372 1/20 0.44
MAPT P10636 1/20 0.56
BLM P54132 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2D6 P10635 1/20 0.56
CYP2C9 P11712 1/20 0.56
THPO P40225 1/20 0.56
HTR1B P28222 8/20 0.47
CCR2 P41597 2/20 0.47
HTR1A P08908 2/20 0.47
HTR1F P30939 2/20 0.47
DRD2 P14416 2/20 0.47
HTR2A P28223 1/20 0.47
HTR2C P28335 1/20 0.47
HTR1E P28566 1/20 0.47
HTR7 P34969 1/20 0.47
DRD3 P35462 1/20 0.47
HTR2B P41595 1/20 0.47

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 SCHEMBL9045241 0.90 HTR1D (0.44) MAPTBLMNPSR1CYP1A2CYP3A4
Oxalic Acid SCHEMBL9048417 0.88 SLC6A4 (0.55) CCR2HTR1ADRD2HTR2AHTR7
Oxalic Acid SCHEMBL9048256 0.88 MAPT (0.49) MAPTBLMNPSR1CYP1A2CYP3A4
SCHEMBL7456066 0.85 CYP1A2 (0.56) MAPTBLMNPSR1CYP1A2CYP3A4
SCHEMBL7459131 0.85 CYP1A2 (0.56) MAPTBLMNPSR1CYP1A2CYP3A4
Oxalic Acid SCHEMBL7859768 0.84 OPRM1 (0.48) CCR2DRD2HTR2AHTR7OPRM1
SCHEMBL7460711 0.84 CYP1A2 (0.53) MAPTBLMNPSR1CYP1A2CYP3A4
SCHEMBL8111835 0.84 OPRM1 (0.57) HTR1ADRD2HTR2AHTR7HTR6
Hydrochloric Acid SCHEMBL7009951 0.83 OPRM1 (0.56) HTR1ADRD2HTR2AHTR7HTR6
Hydrochloric Acid SCHEMBL9045292 0.83 OPRM1 (0.60) CYP1A2CYP3A4CYP2D6CYP2C9THPO

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
EP-0708102-A1 5-HT1F agonists for the treatment of migraine ELI LILLY AND COMPANY (US) 1996-04-24 EP disclosed