Oxalic Acid

Oxalic Acid

SCHEMBL6801356

CC(=O)Nc1ccc2c(c1)C(CN1CCC(c3c[nH]c4cc(Cl)ccc34)CC1)CC2.O=C(O)C(=O)O

nearest known ligand 0.51

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 10)

geneUniProtsupporting neighboursconfidence
OPRM1 known ✓ P35372 1/20 0.41
HTR1D P28221 11/20 0.51
HTR1B P28222 10/20 0.51
HTR1A P08908 1/20 0.51
HTR1F P30939 1/20 0.51
MTNR1A P48039 1/20 0.44
OPRK1 P41145 1/20 0.41
OPRL1 P41146 1/20 0.41
CCR2 P41597 2/20 0.41
APP P05067 2/20 0.40

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
SCHEMBL6795501 0.98 HTR1D (0.53) HTR1DHTR1BHTR1AHTR1FMTNR1A
SCHEMBL7220850 0.83 HTR1D (0.54) HTR1DHTR1BHTR1AHTR1FCCR2
SCHEMBL6907469 0.83 HTR1D (0.51) HTR1DHTR1BHTR1AHTR1FOPRM1
SCHEMBL6796075 0.83 HTR1D (0.60) HTR1DHTR1BHTR1AHTR1FOPRM1
SCHEMBL6794901 0.81 MTNR1A (0.46) HTR1DHTR1BHTR1AHTR1FMTNR1A
SCHEMBL6795113 0.81 MTNR1A (0.46) HTR1DHTR1BHTR1AHTR1FMTNR1A
SCHEMBL6795296 0.81 MTNR1A (0.46) HTR1DHTR1BHTR1AHTR1FMTNR1A
SCHEMBL6795203 0.81 MTNR1A (0.46) HTR1DHTR1BHTR1AHTR1FMTNR1A
SCHEMBL6796026 0.81 HTR1D (0.48) HTR1DHTR1AHTR1FMTNR1AOPRM1
SCHEMBL6796369 0.80 OPRM1 (0.46) HTR1DHTR1BOPRM1OPRK1OPRL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6743808-B1 PSYCHOLOGICAL AND NEUROLOGIC DISORDERS; CENTRAL SEROTONERGIC 5-HT1A AND 5-HT2A RECEPTOR ANTAGONISTS H. LUNDBECK A/S (DK) 2004-06-01 US disclosed