Oxalic Acid

Oxalic Acid

SCHEMBL8396165

O=C(O)C(=O)O.Oc1ccc2cc(C3(O)CCN(C[C@H](O)COc4cccc5[nH]ccc45)CC3)ccc2c1

nearest known ligand 0.58

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 6)

geneUniProtsupporting neighboursconfidence
SLC6A4 known ✓ P31645 3/20 0.51
HTR1A P08908 14/20 0.58
ADRB2 P07550 1/20 0.49
ADRB1 P08588 1/20 0.49
ADRB3 P13945 1/20 0.49
ABCB1 P08183 5/20 0.49

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
SCHEMBL8400226 0.96 HTR1A (0.62) HTR1ASLC6A4ADRB2ADRB1ADRB3
Oxalic Acid SCHEMBL7814401 0.93 HTR1A (0.55) HTR1ASLC6A4ADRB2ADRB1ADRB3
Oxalic Acid SCHEMBL8397820 0.90 HTR1A (0.60) HTR1ASLC6A4ADRB2ADRB1ADRB3
SCHEMBL5584644 0.89 HTR1A (0.59) HTR1ASLC6A4ADRB2ADRB1ADRB3
SCHEMBL8793867 0.88 HTR1A (0.49) HTR1ASLC6A4ADRB2ADRB1ADRB3
Oxalic Acid SCHEMBL8400190 0.87 ABCB1 (0.51) HTR1ASLC6A4ABCB1
Oxalic Acid SCHEMBL8400124 0.87 DRD2 (0.43) HTR1ASLC6A4
SCHEMBL8399026 0.86 ABCB1 (0.55) HTR1ASLC6A4ABCB1
SCHEMBL8397985 0.86 HTR1A (0.65) HTR1ASLC6A4ABCB1
SCHEMBL8396250 0.86 HTR1A (0.64) HTR1ASLC6A4

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
WO-1997048698-A1 COMPOUNDS HAVING EFFECTS ON SEROTONIN-RELATED SYSTEMS ELI LILLY AND COMPANY (US) 1997-12-24 WO disclosed