Oxalic Acid

Oxalic Acid

SCHEMBL9051655

Cc1nc(C23CCCN(CC2)C3)no1.O=C(O)C(=O)O

nearest known ligand 0.84

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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 4)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.32
HCRTR1 O43613 1/20 0.31
HCRTR2 O43614 1/20 0.31
DPP4 P27487 1/20 0.30

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
SCHEMBL9050429 0.92 HCRTR1 (0.32) HCRTR1HCRTR2
Oxalic Acid SCHEMBL9051385 0.79 HSD11B1 (0.39) HCRTR1HCRTR2DPP4
Oxalic Acid SCHEMBL9050512 0.76 HSD11B1 (0.41) DPP4
Oxalic Acid SCHEMBL9703375 0.75 PDK2 (0.35)
Oxalic Acid SCHEMBL8790622 0.73 HSD11B1 (0.41) DPP4
Oxalic Acid SCHEMBL9050722 0.72 CHRM2 (0.42)
Oxalic Acid SCHEMBL9586279 0.72
Oxalic Acid SCHEMBL9879691 0.71
Oxalic Acid SCHEMBL9049301 0.69 ACE2 (0.30)
SCHEMBL1482842 0.69 HCRTR1 (0.36) HCRTR1HCRTR2

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
EP-0287356-B1 Bridgehead substituted azabicyclic derivatives BEECHAM GROUP PLC (GB) 1996-01-24 EP disclosed
US-5132316-A Cognition activators BEECHAM GROUP P.L.C. (GB) 1992-07-21 US disclosed
EP-0287356-A2 Bridgehead substituted azabicyclic derivatives BEECHAM GROUP PLC (GB) 1988-10-19 EP disclosed