Oxalic Acid

Oxalic Acid

SCHEMBL8659656

O=C(O)C(=O)O.c1ccc(CN2CCN(CCCc3c[nH]c4cnc(-n5cncn5)cc34)CC2)cc1

nearest known ligand 0.54

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 3)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 18/20 0.54
HTR1B P28222 18/20 0.54
PIM1 P11309 1/20 0.43

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
SCHEMBL8660964 0.96 HTR1D (0.58) HTR1DHTR1BPIM1
Oxalic Acid SCHEMBL8660714 0.86 HTR1D (0.67) HTR1DHTR1B
SCHEMBL7471152 0.82 HTR1D (0.73) HTR1DHTR1B
SCHEMBL8664693 0.81 HTR1D (0.72) HTR1DHTR1B
SCHEMBL8662842 0.81 HTR1D (0.53) HTR1DHTR1BPIM1
SCHEMBL8805866 0.81 HTR1D (0.63) HTR1DHTR1B
SCHEMBL8662360 0.80 HTR1D (0.42) HTR1DHTR1B
SCHEMBL7482425 0.76 HTR1D (0.68) HTR1DHTR1B
SCHEMBL8424904 0.76 PIM1 (0.46) HTR1DHTR1BPIM1
Oxalic Acid SCHEMBL8648743 0.76 HTR1D (0.60) HTR1DHTR1BPIM1

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