Oxalic Acid

Oxalic Acid

SCHEMBL9049243

CC(C)n1cc(CCN2CCC(c3c[nH]c4ccc(F)cc34)CC2)cn1.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 14)

geneUniProtsupporting neighboursconfidence
SLC6A4 known ✓ P31645 5/20 0.49
OPRM1 known ✓ P35372 1/20 0.48
HTR1D P28221 8/20 0.49
HTR1A P08908 5/20 0.49
OPRK1 P41145 1/20 0.48
OPRL1 P41146 1/20 0.48
DRD2 P14416 5/20 0.47
HTR7 P34969 4/20 0.47
HTR2A P28223 2/20 0.47
HTR6 P50406 2/20 0.47
KCNH2 Q12809 1/20 0.47
HTR1B P28222 5/20 0.47
CHRM2 P08172 1/20 0.47
HSD11B1 P28845 1/20 0.46

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
SCHEMBL7463598 0.95 OPRM1 (0.52) HTR1DSLC6A4HTR1AOPRM1OPRK1
Oxalic Acid SCHEMBL9048457 0.90 HTR1D (0.41) HTR1DHTR1AOPRM1OPRK1OPRL1
Oxalic Acid SCHEMBL9046836 0.89 SLC6A4 (0.51) SLC6A4HTR1ADRD2HTR7HTR2A
Oxalic Acid SCHEMBL9046929 0.87 SLC6A4 (0.54) HTR1DSLC6A4HTR1AOPRM1OPRK1
SCHEMBL7459131 0.86 CYP1A2 (0.56) HTR1DSLC6A4HTR1AOPRM1OPRK1
Oxalic Acid SCHEMBL9046848 0.85 HTR1A (0.51) HTR1DSLC6A4HTR1AOPRM1OPRK1
Oxalic Acid SCHEMBL7864877 0.85 OPRM1 (0.44) SLC6A4OPRM1OPRK1OPRL1DRD2
SCHEMBL8111835 0.85 OPRM1 (0.57) HTR1DSLC6A4HTR1AOPRM1OPRK1
SCHEMBL7460288 0.84 OPRM1 (0.56) HTR1DSLC6A4HTR1AOPRM1OPRK1
Oxalic Acid SCHEMBL9044395 0.84 OPRM1 (0.54) HTR1DSLC6A4HTR1AOPRM1OPRK1

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