Oxalic Acid

Oxalic Acid

SCHEMBL8864004

Brc1ccc2c(c1)CCC(CNCCCNc1ncccn1)O2.O=C(O)C(=O)O.O=C(O)C(=O)O

nearest known ligand 0.68

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 7)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 8/20 0.68
HTR1D P28221 8/20 0.68
DRD2 P14416 1/20 0.48
DRD1 P21728 1/20 0.48
DRD4 P21917 1/20 0.48
DRD5 P21918 1/20 0.48
DRD3 P35462 1/20 0.48

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 SCHEMBL8864011 1.00 HTR1A (0.68) HTR1AHTR1DDRD2DRD1DRD4
SCHEMBL8880289 0.85 HTR1A (0.74) HTR1AHTR1D
Oxalic Acid SCHEMBL8864582 0.82 HTR1A (0.73) HTR1AHTR1D
Oxalic Acid SCHEMBL8864589 0.82 HTR1A (0.73) HTR1AHTR1D
SCHEMBL8863907 0.81 HTR1A (0.72) HTR1AHTR1D
Hydrochloric Acid SCHEMBL9051868 0.80 HTR1A (0.69) HTR1AHTR1D
Hydrochloric Acid SCHEMBL9051866 0.80 HTR1A (0.69) HTR1AHTR1D
Hydrochloric Acid SCHEMBL8864153 0.79 HTR1A (0.95) HTR1AHTR1D
Hydrochloric Acid SCHEMBL8864158 0.79 HTR1A (0.95) HTR1AHTR1D
SCHEMBL8885256 0.79 HTR1A (0.78) HTR1AHTR1D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5703115-A VASOCONSTRICTORS JANSSEN PHARMACEUTICA, N.V. (BE) 1997-12-30 US disclosed
US-5688952-A VASOCONSTRICTOR INTERMEDIATES JANSSEN PHARMACEUTICA, N.V. (BE) 1997-11-18 US disclosed
US-5624952-A VASOCONSTRICTORS JANSSEN PHARMACEUTICA N.V. (BE) 1997-04-29 US disclosed
US-5607949-A VASOCONTRICTORS, TREATING MIGRAIN JANSSEN PHARMACEUTICA N.V. (BE) 1997-03-04 US disclosed
US-5541180-A HEADACHE THERAPY JANSSEN PHARMACEUTICA N.V. (BE) 1996-07-30 US disclosed
EP-0639192-B1 (BENZODIOXAN, BENZOFURAN OR BENZOPYRAN)-ALKYLAMINO] ALKYL SUBSTITUTED GUANIDINES AS SELECTIVE VASCOCONSTRICTORS JANSSEN PHARMACEUTICA NV (BE) 1996-05-15 EP disclosed
WO-1993017017-A1 [(BENZODIOXAN, BENZOFURAN OR BENZOPYRAN)-ALKYLAMINO] ALKYL SUBSTITUTED GUANIDINES AS SELECTIVE VASCOCONSTRICTORS JANSSEN PHARMACEUTICA N.V. (BE) 1993-09-02 WO disclosed