Oxalic Acid

Oxalic Acid

SCHEMBL8662945

O=C(O)C(=O)O.c1ccc(CC2CCN(CCCc3c[nH]c4ccc(-n5cnnc5)cc34)CC2)cc1

nearest known ligand 0.91

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 2)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 20/20 0.91
HTR1B P28222 20/20 0.91

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
SCHEMBL7475880 0.87 HTR1D (0.83) HTR1DHTR1B
SCHEMBL8662066 0.87 HTR1D (0.83) HTR1DHTR1B
SCHEMBL4340068 0.86 HTR1D (1.00) HTR1DHTR1B
SCHEMBL7479250 0.86 HTR1D (0.84) HTR1DHTR1B
SCHEMBL8177129 0.84 HTR1D (0.78) HTR1DHTR1B
SCHEMBL7475895 0.84 HTR1D (0.79) HTR1DHTR1B
SCHEMBL7479048 0.83 HTR1D (1.00) HTR1DHTR1B
SCHEMBL8662011 0.83 HTR1D (0.82) HTR1DHTR1B
SCHEMBL7474143 0.82 HTR1D (1.00) HTR1DHTR1B
SCHEMBL4352154 0.82 HTR1D (1.00) HTR1DHTR1B

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-5807857-A Piperazine, piperidine and tetrahydropyridine derivative of indol-3-alkyl as 5-HT1D-α agonists MERCK SHARP & DOHME LTD. (GB) 1998-09-15 US disclosed