Oxalic Acid

Oxalic Acid

SCHEMBL9045241

Cn1cc(CCN2CCC(c3c[nH]c4ccc(Br)cc34)CC2)cn1.O=C(O)C(=O)O

nearest known ligand 0.44

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 18)

geneUniProtsupporting neighboursconfidence
OPRM1 known ✓ P35372 1/20 0.43
HTR1D P28221 12/20 0.44
HTR1B P28222 9/20 0.44
MAPT P10636 1/20 0.44
BLM P54132 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
CCR2 P41597 2/20 0.43
OPRK1 P41145 1/20 0.43
OPRL1 P41146 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
THPO P40225 1/20 0.43
HTR1A P08908 2/20 0.43
HTR1F P30939 1/20 0.43
CHRM2 P08172 1/20 0.42
DRD2 P14416 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
Oxalic Acid SCHEMBL9048457 0.91 HTR1D (0.41) HTR1DHTR1BMAPTBLMNPSR1
Oxalic Acid SCHEMBL9046695 0.91 DRD2 (0.43) HTR1DHTR1BMAPTBLMNPSR1
Oxalic Acid SCHEMBL9048375 0.90 MAPT (0.56) HTR1DHTR1BMAPTBLMNPSR1
Oxalic Acid SCHEMBL9046888 0.89 CCR2 (0.44) HTR1DHTR1BCCR2OPRM1OPRK1
Oxalic Acid SCHEMBL9048417 0.88 SLC6A4 (0.55) CCR2HTR1ADRD2
Oxalic Acid SCHEMBL7859768 0.84 OPRM1 (0.48) CCR2OPRM1OPRK1OPRL1DRD2
SCHEMBL8111835 0.83 OPRM1 (0.57) HTR1DOPRM1OPRK1OPRL1HTR1A
Hydrochloric Acid SCHEMBL7009951 0.82 OPRM1 (0.56) HTR1DOPRM1OPRK1OPRL1HTR1A
Hydrochloric Acid SCHEMBL9045292 0.82 OPRM1 (0.60) HTR1DHTR1BOPRM1OPRK1OPRL1
Oxalic Acid SCHEMBL9044366 0.81 OPRM1 (0.51) HTR1DCCR2OPRM1OPRK1OPRL1

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