Oxalic Acid

Oxalic Acid

SCHEMBL9049150

COc1ccc2[nH]cc(C3CCN(CCc4cnn(-c5ccccc5)c4)CC3)c2c1.O=C(O)C(=O)O

nearest known ligand 0.52

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 12)

geneUniProtsupporting neighboursconfidence
SLC6A4 known ✓ P31645 8/20 0.51
HTR1A P08908 7/20 0.51
DRD2 P14416 4/20 0.50
HTR7 P34969 4/20 0.50
HTR6 P50406 4/20 0.50
HTR2A P28223 3/20 0.50
MTNR1A P48039 1/20 0.48
MTNR1B P49286 1/20 0.48
KDM4A O75164 1/20 0.47
KDM4B O94953 1/20 0.47
KDM5C P41229 1/20 0.47
KDM5B Q9UGL1 1/20 0.47

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
SCHEMBL7455861 0.96 SLC6A4 (0.53) SLC6A4HTR1ADRD2HTR7HTR6
Oxalic Acid SCHEMBL9048417 0.90 SLC6A4 (0.55) SLC6A4HTR1ADRD2HTR7HTR6
Oxalic Acid SCHEMBL9046848 0.88 HTR1A (0.51) SLC6A4HTR1ADRD2HTR7HTR6
Oxalic Acid SCHEMBL9046888 0.88 CCR2 (0.44) HTR1ADRD2KDM4AKDM4BKDM5C
Oxalic Acid SCHEMBL9048518 0.88 OPRM1 (0.58) DRD2HTR6KDM4AKDM4BKDM5C
Oxalic Acid SCHEMBL9046836 0.86 SLC6A4 (0.51) SLC6A4HTR1ADRD2HTR7HTR6
Maleic Acid SCHEMBL9046255 0.85 KDM4A (0.49) SLC6A4HTR1ADRD2HTR7HTR6
Maleic Acid SCHEMBL30909027 0.85 KDM4A (0.49) SLC6A4HTR1ADRD2HTR7HTR6
SCHEMBL7460711 0.85 CYP1A2 (0.53) DRD2HTR7KDM4AKDM4BKDM5C
Oxalic Acid SCHEMBL9030775 0.85 SLC6A4 (0.60) SLC6A4HTR1ADRD2HTR7HTR6

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
EP-0708102-A1 5-HT1F agonists for the treatment of migraine ELI LILLY AND COMPANY (US) 1996-04-24 EP disclosed