Oxalic Acid

Oxalic Acid

SCHEMBL7653789

CCNC1CCc2[nH]c3ccc(NC(=O)c4ccc(F)cc4)cc3c2C1.CCNC1CCc2[nH]c3ccc(NC(=O)c4ccc(F)cc4)cc3c2C1.O.O=C(O)C(=O)O.O=C(O)C(=O)O

nearest known ligand 0.66

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 15)

geneUniProtsupporting neighboursconfidence
OPRM1 known ✓ P35372 1/20 0.50
HTR1F P30939 3/20 0.66
HTR1A P08908 3/20 0.50
HTR1B P28222 3/20 0.50
DRD2 P14416 1/20 0.50
DRD4 P21917 1/20 0.50
HTR1E P28566 1/20 0.50
HTR7 P34969 1/20 0.50
TMEM97 Q5BJF2 1/20 0.50
HTR1D P28221 4/20 0.48
KMT2A Q03164 2/20 0.45
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
MEN1 O00255 1/20 0.43
MAPT P10636 1/20 0.42

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
SCHEMBL7663838 0.96 HTR1F (0.70) HTR1FHTR1AHTR1BDRD2DRD4
Bromide SCHEMBL7664575 0.95 HTR1F (0.69) HTR1FHTR1AHTR1BDRD2DRD4
SCHEMBL7204477 0.90 HTR1F (0.64) HTR1FHTR1AHTR1BDRD2HTR1D
SCHEMBL7664557 0.89 HTR1F (0.59) HTR1FHTR1AHTR1BDRD2DRD4
SCHEMBL7656407 0.89 HTR1F (0.56) HTR1FHTR1AHTR1BDRD2DRD4
SCHEMBL7658590 0.88 HTR1F (0.58) HTR1FHTR1AHTR1BDRD2DRD4
SCHEMBL7665360 0.88 HTR1F (0.58) HTR1FHTR1AHTR1BDRD2DRD4
SCHEMBL7662215 0.87 HTR1F (0.55) HTR1FHTR1AHTR1BDRD2DRD4
SCHEMBL7656278 0.87 HTR1F (0.60) HTR1FHTR1AHTR1BDRD2DRD4
SCHEMBL7660816 0.87 HTR1F (0.58) HTR1FHTR1AHTR1BDRD2DRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6380201-B1 Methods of treating or ameliorating the symptoms of common cold or allergic rhinitis with serotonin 5-HT1F agonists ELI LILLY AND COMPANY 2002-04-30 US disclosed
EP-0749962-B1 6-substituted-1,2,3,4-tetrahydro-9H-carbazoles and 7-substituted-10H-cyclohepta(7,6-B)indoles LILLY CO ELI (US) 2000-11-02 EP disclosed
US-5962473-A Methods of treating or ameliorating the symptoms of common cold or allergic rhinitis with serotonin 5-HT1F ELI LILLY AND COMPANY (US) 1999-10-05 US disclosed
US-5814653-A SUMATRIPTAN FOR RELIEF OF MIGRAINE PAIN AND OTHER DISORDERS ASSOCIATED WITH PEPTIDE EXTRAVASATION DIE TO STUMULATION OF THE TRIGEMINAL GANGLIA; 5-HT 1F AGONISTS ELI LILLY AND COMPANY (US) 1998-09-29 US disclosed
EP-0832650-A2 Use of serotonin 5-HT1F agonists for the prevention of migraine ELI LILLY AND COMPANY (US) 1998-04-01 EP disclosed
EP-0824917-A2 Use of a serotonin 5-HTlf agonist in the manufacture of a medicament for treating or ameliorating the symptoms of common cold or allergic rhinitis ELI LILLY AND COMPANY (US) 1998-02-25 EP disclosed
US-5708187-A MIGRANE HEADACHES ELI LILLY AND COMPANY (US) 1998-01-13 US disclosed
EP-0749962-A1 6-substituted-1,2,3,4-tetrahydro-9H-carbazoles and 7-substituted-10H-cyclohepta(7,6-B)indoles ELI LILLY AND COMPANY (US) 1996-12-27 EP disclosed