Oxalic Acid

Oxalic Acid

SCHEMBL7572885

C1=CN=C1.Nc1ccc2c(c1)C(CCN1CC=C(c3c[nH]c4cc(Cl)ccc34)CC1)CC2.O=C(O)C(=O)O

nearest known ligand 0.53

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 13)

geneUniProtsupporting neighboursconfidence
SLC6A4 known ✓ P31645 3/20 0.44
OPRM1 known ✓ P35372 1/20 0.41
HTR1D P28221 6/20 0.53
DRD2 P14416 8/20 0.44
ADRA1D P25100 1/20 0.44
HTR1B P28222 1/20 0.44
ADRA1A P35348 1/20 0.44
ADRA1B P35368 1/20 0.44
HTR1A P08908 6/20 0.42
HTR7 P34969 6/20 0.42
HTR6 P50406 6/20 0.42
HTR2A P28223 4/20 0.42
OPRK1 P41145 1/20 0.41

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 SCHEMBL7214633 0.83 HTR1D (0.52) HTR1DDRD2SLC6A4ADRA1DHTR1B
SCHEMBL6802859 0.83 HTR1D (0.49) HTR1DDRD2SLC6A4HTR1AHTR7
SCHEMBL7219879 0.81 HTR1D (0.54) HTR1DDRD2SLC6A4ADRA1DHTR1B
Oxalic Acid SCHEMBL7214504 0.81 HTR1D (0.54) HTR1DDRD2SLC6A4HTR1AHTR7
SCHEMBL7213620 0.81 HTR1D (0.56) HTR1DDRD2SLC6A4HTR1AHTR7
Oxalic Acid SCHEMBL7220017 0.79 HTR1D (0.49) HTR1DDRD2SLC6A4HTR1AHTR7
Oxalic Acid SCHEMBL7219944 0.79 HTR1D (0.49) HTR1DDRD2SLC6A4HTR1AHTR7
SCHEMBL7220152 0.77 OPRM1 (0.51) HTR1DDRD2SLC6A4HTR1AHTR7
SCHEMBL7213738 0.77 HTR1D (0.51) HTR1DDRD2SLC6A4HTR1AHTR7
SCHEMBL6795818 0.77 OPRM1 (0.56) DRD2SLC6A4HTR1AHTR7HTR6

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0946542-A1 INDANE OR DIHYDROINDOLE DERIVATIVES H. LUNDBECK A/S (DK) 1999-10-06 EP disclosed
WO-1998028293-A1 INDANE OR DIHYDROINDOLE DERIVATIVES H.LUNDBECK A/S (DK) 1998-07-02 WO disclosed