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Oxalic Acid

Oxalic Acid

SCHEMBL6601384

CC(C)(C)c1nc(N2CCCN(CCCCNc3nccc(OCc4ccccc4)n3)CC2)cc(C(F)(F)F)n1.O=C(O)C(=O)O

nearest known ligand 0.60

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 2)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 20/20 0.60
▸ DRD3 P35462 20/20 0.60

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
SCHEMBL6600963 0.85 DRD2 (0.53) DRD2DRD3
SCHEMBL7252084 0.83 DRD3 (0.57) DRD2DRD3
SCHEMBL7660493 0.83 DRD2 (0.59) DRD2DRD3
SCHEMBL7251876 0.82 DRD3 (0.56) DRD2DRD3
SCHEMBL7255815 0.77 DRD2 (0.49) DRD2DRD3
SCHEMBL16463486 0.74 DRD2 (1.00) DRD2DRD3
SCHEMBL5899231 0.74 DRD2 (0.70) DRD2DRD3
SCHEMBL16462631 0.73 DRD2 (1.00) DRD2DRD3
SCHEMBL5899230 0.73 DRD2 (0.67) DRD2DRD3
SCHEMBL5899232 0.72 DRD2 (0.73) DRD2DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0877744-B1 SUBSTITUTED AZA- AND DIAZACYCLOHEPTANE AND CYCLOOCTANE COMPOUNDS AND THEIR USE ABBOTT GMBH & CO KG (DE) 2004-08-11 — — EP disclosed
US-6352981-B1 TREAT DISORDERS WHICH RESPOND TO DOPAMINE D.SUB.3 LIGANDS SUCH AS SCHISTOSOMIASIS, SCHIZOPHRENIA, DEPRESSION, NEUROSES OR PSYCHOSES BASF AKTIENGESELLSCHAFT (DE) 2002-03-05 — — US disclosed
US-6214822-B1 PSYCHOLOGICAL AND NERVOUS SYSTEM DISORDERS BASF AKTIENGESELLSCHAFT (DE) 2001-04-10 — — US disclosed
EP-0877744-A1 SUBSTITUTED AZA- AND DIAZACYCLOHEPTANE AND CYCLOOCTANE COMPOUNDS AND THEIR USE BASF AKTIENGESELLSCHAFT (DE) 1998-11-18 — — EP disclosed
WO-1997025324-A1 SUBSTITUTED AZA- AND DIAZACYCLOHEPTANE AND CYCLOOCTANE COMPOUNDS AND THEIR USE BASF AKTIENGESELLSCHAFT (DE) 1997-07-17 — — WO disclosed