Oxalic Acid

Oxalic Acid

SCHEMBL7204441

COC(=O)c1ccc2c(c1)CN(CCCSc1nnc(-c3ccccc3)n1C)CC2.O=C(O)C(=O)O

nearest known ligand 0.55

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
SLC6A4 known ✓ P31645 1/20 0.47
DRD3 P35462 18/20 0.55
DRD2 P14416 15/20 0.55
KCNH2 Q12809 7/20 0.55
TP53 P04637 1/20 0.51
RAB9A P51151 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
HRH1 P35367 3/20 0.50
HTR1A P08908 2/20 0.50
ADRA2C P18825 2/20 0.50
HRH2 P25021 2/20 0.50
ADRA1A P35348 2/20 0.50
ADRA1B P35368 2/20 0.50
HTR2B P41595 2/20 0.50
ADRA2A P08913 1/20 0.50
ADRA2B P18089 1/20 0.50
DRD4 P21917 1/20 0.50
DRD5 P21918 1/20 0.50
HTR1B P28222 1/20 0.50
HTR2A P28223 1/20 0.50

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
SCHEMBL4387104 0.89 DRD3 (0.59) DRD3DRD2KCNH2HRH1HTR1A
SCHEMBL4705240 0.88 DRD3 (0.58) DRD3DRD2KCNH2HRH1HTR1A
SCHEMBL4701185 0.87 DRD3 (0.57) DRD3DRD2KCNH2HRH1HTR1A
SCHEMBL4704001 0.85 DRD3 (0.55) DRD3DRD2KCNH2HRH1HTR1A
SCHEMBL4701331 0.84 DRD3 (0.56) DRD3DRD2KCNH2HRH1HTR1A
SCHEMBL4701966 0.83 DRD3 (0.56) DRD3DRD2KCNH2HRH1KDM4E
SCHEMBL4389064 0.82 DRD3 (0.69) DRD3DRD2KCNH2HRH1HTR1A
SCHEMBL4384764 0.81 DRD3 (0.65) DRD3DRD2KCNH2HRH1HTR1A
SCHEMBL4702317 0.81 DRD3 (0.56) DRD3DRD2KCNH2RAB9AALDH1A1
SCHEMBL4392618 0.80 DRD3 (0.57) DRD3DRD2KCNH2HRH1HTR1A

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-6602867-B1 Triazole compounds with dopamine-D3-receptor affinity ABBOTT LABORATORIES 2003-08-05 US disclosed