Oxalic Acid

Oxalic Acid

SCHEMBL8400124

O=C(O)C(=O)O.Oc1ccc2cc(C3(O)CCN(CCCOc4cccc5[nH]ccc45)CC3)ccc2c1

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 18)

geneUniProtsupporting neighboursconfidence
SLC6A4 known ✓ P31645 1/20 0.39
DRD2 P14416 8/20 0.43
DRD3 P35462 8/20 0.43
DRD4 P21917 6/20 0.43
HTR1A P08908 3/20 0.42
CCR1 P32246 1/20 0.40
MCL1 Q07820 1/20 0.39
DRD1 P21728 1/20 0.39
DRD5 P21918 1/20 0.39
SLC6A2 P23975 1/20 0.39
HTR2A P28223 1/20 0.39
HTR7 P34969 1/20 0.39
HRH1 P35367 1/20 0.39
HTR2B P41595 1/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL8397976 0.96 HTR1A (0.45) DRD2DRD3DRD4HTR1ACCR1
Oxalic Acid SCHEMBL8400503 0.90 DRD2 (0.49) DRD2DRD3DRD4HTR1AMEN1
Oxalic Acid SCHEMBL8398992 0.89 DRD2 (0.44) DRD2DRD3DRD4HTR1ADRD1
Oxalic Acid SCHEMBL8399088 0.89 HTR1A (0.48) DRD2DRD3DRD4HTR1ADRD1
SCHEMBL7883032 0.89 CCR1 (0.48) DRD2DRD3DRD4HTR1ACCR1
Oxalic Acid SCHEMBL8395281 0.87 DRD2 (0.42) DRD2DRD3DRD4HTR1AMCL1
Oxalic Acid SCHEMBL8396165 0.87 HTR1A (0.58) HTR1ASLC6A4
SCHEMBL8395683 0.86 CCR1 (0.43) DRD2DRD3DRD4HTR1ACCR1
SCHEMBL7887491 0.86 HTR1A (0.44) DRD2DRD3DRD4HTR1ADRD1
SCHEMBL8396403 0.85 MEN1 (0.49) DRD2DRD3DRD4HTR1ADRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5912256-A 0-(4-INDOLYLOXY)-3-(4-HYDROXY-4-NAPHTHYLPIPERIDIN-1-YL)PROPANE S ELI LILLY AND COMPANY (US) 1999-06-15 US disclosed
EP-0814084-A1 Indole derivatives as 5-HT1A antagonists and as inhibitors of serotonine reuptake ELI LILLY AND COMPANY (US) 1997-12-29 EP disclosed
EP-0776884-A1 SUBSTITUTED AMIDE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 1997-06-04 EP disclosed