Oxalic Acid

Oxalic Acid

SCHEMBL9800370

C=CCNCCc1c[nH]c2ccc(CCS(=O)(=O)NC)cc12.O=C(O)C(=O)O

nearest known ligand 0.50

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 20)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 4/20 0.50
HTR1B P28222 4/20 0.50
HTR1A P08908 3/20 0.50
HTR2A P28223 3/20 0.50
HTR2C P28335 2/20 0.50
HTR7 P34969 2/20 0.50
HTR5A P47898 2/20 0.50
HTR1E P28566 1/20 0.50
HTR1F P30939 1/20 0.50
HTR2B P41595 1/20 0.50
HTR3A P46098 1/20 0.50
SLC47A1 Q96FL8 1/20 0.50
KDM4E B2RXH2 3/20 0.48
ALDH1A1 P00352 2/20 0.48
NPSR1 Q6W5P4 2/20 0.48
LMNA P02545 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
KMT2A Q03164 3/20 0.45
MTNR1A P48039 3/20 0.43
MTNR1B P49286 3/20 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
SCHEMBL9800342 0.95 HTR2A (0.54) HTR1DHTR1BHTR1AHTR2AHTR2C
Oxalic Acid SCHEMBL9800389 0.83 HTR1A (0.72) HTR1DHTR1BHTR1AHTR2AHTR2C
SCHEMBL9800346 0.82 MPO (0.57) HTR1DHTR1BHTR1AHTR2AHTR2C
SCHEMBL9800430 0.82 MTNR1A (0.60) HTR1DHTR1BHTR1AHTR2AHTR2C
SCHEMBL9800332 0.81 HTR1A (0.59) HTR1DHTR1BHTR1AHTR2AHTR2C
SCHEMBL9800344 0.81 MTNR1A (0.62) HTR1DHTR1BHTR1AHTR2AHTR2C
Hydrochloric Acid SCHEMBL9800419 0.81 MPO (0.57) HTR1DHTR1BHTR1AHTR2AHTR2C
SCHEMBL9800416 0.79 HTR1B (0.54) HTR1DHTR1BHTR1AHTR2AHTR2C
Hydrochloric Acid SCHEMBL9800399 0.79 HTR1A (0.57) HTR1DHTR1BHTR1AHTR2AHTR2C
SCHEMBL9800384 0.79 HTR1D (0.59) HTR1DHTR1BHTR1AHTR2AHTR2C

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-4994483-A 5-substituted-3-aminoalkyl indole derivatives for migraine GLAXO GROUP LIMITED (GB) 1991-02-19 US disclosed