Oxalic Acid

Oxalic Acid

SCHEMBL10562011

C=C1c2cc(F)ccc2OC12CCN(CCCC(c1ccc(F)cc1)c1ccc(F)cc1)CC2.O=C(O)C(=O)O

nearest known ligand 0.45

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
OPRM1 known ✓ P35372 7/20 0.45
SLC6A4 known ✓ P31645 4/20 0.44
DRD3 P35462 10/20 0.45
HTR2A P28223 8/20 0.45
SLC6A3 Q01959 8/20 0.45
OPRK1 P41145 7/20 0.45
HRH1 P35367 7/20 0.45
HTR6 P50406 7/20 0.45
OPRD1 P41143 6/20 0.45
DRD4 P21917 6/20 0.45
DRD5 P21918 6/20 0.45
HRH2 P25021 6/20 0.45
HTR7 P34969 6/20 0.45
ADRA1A P35348 6/20 0.45
ADRA1D P25100 5/20 0.45
CACNA1C Q13936 5/20 0.45
HTR1A P08908 5/20 0.45
ADORA3 P0DMS8 5/20 0.45
CACNA1F O60840 4/20 0.45
ADRA1B P35368 4/20 0.45

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
SCHEMBL10692175 0.95 DRD3 (0.45) DRD3HTR2ASLC6A3OPRK1HRH1
Oxalic Acid SCHEMBL10691411 0.78 HTR2A (0.46) HTR2AOPRM1HTR6HTR7HTR1A
Oxalic Acid SCHEMBL10806817 0.74 CCR1 (0.49) DRD3HTR2ASLC6A3OPRK1HRH1
Oxalic Acid SCHEMBL11016213 0.74 HTR2A (0.44) DRD3HTR2ASLC6A3OPRK1HRH1
SCHEMBL10558080 0.72 HSD11B1 (0.43) CYP3A4CYP2D6MEN1KMT2ASMN1; SMN2
SCHEMBL4229226 0.72 SIGMAR1 (0.56) DRD3HTR2ASLC6A3OPRK1HRH1
SCHEMBL4379525 0.71 DRD3 (0.58) DRD3HTR2ASLC6A3OPRK1HRH1
SCHEMBL9666472 0.71 HTR2A (0.47) DRD3HTR2ASLC6A3OPRK1HRH1
SCHEMBL195048 0.71 DRD3 (0.46) DRD3HTR2ASLC6A3OPRK1HRH1
SCHEMBL10691217 0.70 HTR2A (0.47) HTR2AOPRM1HTR6HTR7HTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4810792-A HYPOTENSIVE AGENTS HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1989-03-07 US disclosed
US-4788201-A HYPOTENSIVE AGENTS HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1988-11-29 US disclosed