Oxalic Acid

Oxalic Acid

SCHEMBL900478

CN1CCC(OC(c2ccc3ccsc3c2)c2nc3ccccc3[nH]2)CC1.O=C(O)C(=O)O

nearest known ligand 0.41

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 20)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 known ✓ P35372 1/20 0.41
▸ CHRM2 P08172 1/20 0.41
▸ HTR1A P08908 1/20 0.41
▸ ADRA2A P08913 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ CHRM1 P11229 1/20 0.41
▸ DRD1 P21728 1/20 0.41
▸ SLC6A2 P23975 1/20 0.41
▸ ADRA1A P35348 1/20 0.41
▸ DRD3 P35462 1/20 0.41
▸ SLC6A3 Q01959 1/20 0.41
▸ KCNH2 Q12809 1/20 0.41
▸ HRH3 Q9Y5N1 1/20 0.41
▸ HRH4 Q9H3N8 3/20 0.41
▸ MAPK1 P28482 1/20 0.40
▸ MLKL Q8NB16 5/20 0.39
▸ LMNA P02545 2/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ TSHR P16473 1/20 0.37
▸ PDE10A Q9Y233 1/20 0.36

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
SCHEMBL900636 0.95 SLC6A2 (0.43) CHRM2HTR1AADRA2ACYP2D6CHRM1
Oxalic Acid SCHEMBL17491690 0.83 MAPT (0.43) CHRM2HTR1AADRA2ACYP2D6CHRM1
Oxalic Acid SCHEMBL900881 0.81 CYP2D6 (0.45) CHRM2HTR1AADRA2ACYP2D6CHRM1
SCHEMBL2719928 0.80 CHRM2 (0.64) CHRM2HTR1AADRA2ACYP2D6CHRM1
SCHEMBL900805 0.79 DRD3 (0.45) CHRM2HTR1AADRA2ACYP2D6CHRM1
SCHEMBL15226855 0.78 CHRM2 (0.52) CHRM2HTR1AADRA2ACYP2D6CHRM1
SCHEMBL899824 0.78 CHRM2 (0.52) CHRM2HTR1AADRA2ACYP2D6CHRM1
Oxalic Acid SCHEMBL17491679 0.77 DRD3 (0.43) CHRM2HTR1AADRA2ACYP2D6CHRM1
SCHEMBL2720463 0.77 OGA (0.44) CHRM2HTR1AADRA2ACYP2D6CHRM1
SCHEMBL899887 0.77 MLKL (0.62) CHRM2HTR1AADRA2ACYP2D6CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2621916-A1 BENZAZOLE DERIVATIVES AS HISTAMINE H4 RECEPTOR LIGANDS BIOPROJET (FR) 2013-08-07 — — EP claimed
WO-2012041860-A1 BENZAZOLE DERIVATIVES AS HISTAMINE H4 RECEPTOR LIGANDS BIOPROJET (FR) 2012-04-05 — — WO claimed
EP-2621916-A1 BENZAZOLE DERIVATIVES AS HISTAMINE H4 RECEPTOR LIGANDS BIOPROJET (FR) 2013-08-07 — — EP disclosed
WO-2012041860-A1 BENZAZOLE DERIVATIVES AS HISTAMINE H4 RECEPTOR LIGANDS BIOPROJET (FR) 2012-04-05 — — WO disclosed
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