Oxalic Acid

Oxalic Acid

SCHEMBL10340374

COc1ccc2[nH]cc3c2c1CC(N(C)C)C3.O=C(O)C(=O)O

nearest known ligand 0.88

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 11)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 4/20 0.61
MTNR1B P49286 4/20 0.61
HTR1A P08908 1/20 0.47
HTR1D P28221 4/20 0.45
HTR1B P28222 3/20 0.45
CHRM2 P08172 1/20 0.41
CHRM1 P11229 1/20 0.41
CHRM3 P20309 1/20 0.41
DRD2 P14416 1/20 0.40
DRD4 P21917 1/20 0.40
DRD3 P35462 1/20 0.40

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
SCHEMBL9790366 0.94 MTNR1A (0.57) MTNR1AMTNR1BHTR1AHTR1DHTR1B
Maleic Acid SCHEMBL9790417 0.93 MTNR1A (0.56) MTNR1AMTNR1BHTR1AHTR1DHTR1B
Oxalic Acid SCHEMBL7512423 0.82 HTR1A (0.55) MTNR1AMTNR1BHTR1AHTR1DHTR1B
Bromide SCHEMBL9790390 0.81 HTR1A (0.49) MTNR1AMTNR1BHTR1AHTR1DHTR1B
SCHEMBL8893706 0.81 HTR1A (0.59) MTNR1AMTNR1BHTR1AHTR1DHTR1B
SCHEMBL11019525 0.80 MTNR1A (0.54) MTNR1AMTNR1BHTR1AHTR1DHTR1B
Phosphoric Acid SCHEMBL9790384 0.79 MTNR1A (0.54) MTNR1AMTNR1BHTR1AHTR1DHTR1B
Succinic Acid SCHEMBL9790360 0.79 MTNR1A (0.51) MTNR1AMTNR1BHTR1AHTR1DHTR1B
SCHEMBL6890172 0.78 HTR1A (0.65) MTNR1AMTNR1BHTR1AHTR1DHTR1B
SCHEMBL10340391 0.78 MTNR1A (0.55) MTNR1AMTNR1BHTR1AHTR1DHTR1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0162695-B1 6-OXYGENATED-1,3,,4,5-TETRAHYDROBENZ(CD)INDOL-4-AMINES SMITHKLINE BEECHAM CORPORATION (US) 1990-01-17 EP claimed
EP-0162695-B1 6-OXYGENATED-1,3,,4,5-TETRAHYDROBENZ(CD)INDOL-4-AMINES SMITHKLINE BEECHAM CORPORATION (US) 1990-01-17 EP disclosed
EP-0162695-A1 6-Oxygenated-1,3,,4,5-Tetrahydrobenz(cd)indol-4-amines SMITHKLINE BEECHAM CORPORATION (US) 1985-11-27 EP disclosed