Oxalic Acid

Oxalic Acid

SCHEMBL7344927

CC(C)n1nc(C(=O)NCC2CCN(CCCCc3ccccc3)CC2)c2ccccc21.O=C(O)C(=O)O

nearest known ligand 0.85

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 3)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 20/20 0.85
HTR2A P28223 9/20 0.85
KCNH2 Q12809 4/20 0.73

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
SCHEMBL13220645 0.92 HTR4 (1.00) HTR4HTR2AKCNH2
Hydrochloric Acid SCHEMBL7341669 0.91 HTR4 (1.00) HTR4HTR2AKCNH2
SCHEMBL7342942 0.86 HTR4 (1.00) HTR4HTR2AKCNH2
SCHEMBL3042859 0.86 HTR4 (1.00) HTR4HTR2AKCNH2
Oxalic Acid SCHEMBL1405809 0.85 HTR4 (1.00) HTR4HTR2AKCNH2
Hydrochloric Acid SCHEMBL4413286 0.85 HTR4 (1.00) HTR4HTR2AKCNH2
SCHEMBL1405951 0.85 HTR4 (0.98) HTR4HTR2AKCNH2
SCHEMBL7345174 0.85 HTR4 (1.00) HTR4HTR2AKCNH2
Hydrochloric Acid SCHEMBL1405944 0.84 HTR4 (1.00) HTR4HTR2AKCNH2
Oxalic Acid SCHEMBL7400224 0.83 HTR4 (0.71) HTR4HTR2AKCNH2

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
EP-0975623-B1 INDAZOLE AMIDE COMPOUNDS AS SEROTONINERGIC AGENTS ACRAF (IT) 2002-06-19 EP disclosed
US-6197769-B1 SEROTONINE RECEPTORS ANTAGONIST; GASTROINTESTINAL DISORDERS, ANTIARRHYTHMIA AGENTS; INCONTINENCE AZIENDE CHIMICHE RIUNITE ANGELINI FRANCESCO A.C.R.A.F. S.P.A. (IT) 2001-03-06 US disclosed