Oxalic Acid

Oxalic Acid

SCHEMBL6973649

O.O=C(O)c1cccnc1N1CCN(C/C=C2/c3ccccc3CSc3ccccc32)CC1.O=C([O-])C(=O)O.[CH2]C.[H+]

nearest known ligand 0.38

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 0.37
LMNA P02545 3/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KMT2A Q03164 2/20 0.38
ALDH1A1 P00352 2/20 0.37
DRD2 P14416 2/20 0.37
CHRM2 P08172 1/20 0.37
ADRA2A P08913 1/20 0.37
CYP2D6 P10635 1/20 0.37
CHRM1 P11229 1/20 0.37
ADRA2B P18089 1/20 0.37
ADRA2C P18825 1/20 0.37
CHRM3 P20309 1/20 0.37
SLC6A2 P23975 1/20 0.37
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
ADRA1A P35348 1/20 0.37
HRH1 P35367 1/20 0.37
DRD3 P35462 1/20 0.37
OPRK1 P41145 1/20 0.37

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
SCHEMBL6964805 0.92 LMNA (0.42) LMNASMN1; SMN2KMT2AALDH1A1DRD2
SCHEMBL6964808 0.92 LMNA (0.42) LMNASMN1; SMN2KMT2AALDH1A1DRD2
SCHEMBL6971617 0.83 HRH1 (0.44) LMNASMN1; SMN2KMT2AALDH1A1DRD2
Hydrochloric Acid SCHEMBL6972798 0.83 LMNA (0.45) LMNASMN1; SMN2KMT2AALDH1A1DRD2
SCHEMBL6960271 0.76 ALDH1A1 (0.42) LMNASMN1; SMN2KMT2AALDH1A1DRD2
SCHEMBL6960765 0.72 HRH1 (0.42) LMNASMN1; SMN2KMT2AALDH1A1DRD2
SCHEMBL6963499 0.71 HRH1 (0.49) KMT2AADRA1AHRH1DRD3HRH3
Hydrochloric Acid SCHEMBL6970215 0.71 HRH1 (0.49) KMT2AADRA1AHRH1DRD3HRH3
SCHEMBL6963328 0.69 LMNA (0.49) LMNASMN1; SMN2ALDH1A1DRD2CHRM2
Hydrochloric Acid SCHEMBL6964854 0.68 LMNA (0.51) LMNASMN1; SMN2ALDH1A1DRD2CHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0934312-B1 1,4-DISUBSTITUTED PIPERAZINES NOVO NORDISK AS (DK) 2003-03-19 EP disclosed
US-6133268-A 1,4-disubstituted piperazines NOVO NORDISK A/S (DK) 2000-10-17 US disclosed
US-6040302-A ANTIINFLAMMATORY AGENTS TREATING RHEUMATOID ARTHRITIS, MIGRAINE OR ITCHING, INSULIN RESISTANCE IN NON-INSULIN-DEPENDENT DIABETES MELLITUS AND AGEING-ASSOCIATED OBESITY NOVO NORDISK A/S (DK) 2000-03-21 US disclosed
US-6004961-A ANTIINFLAMMATORY AGENTS, ANALGESICS; NON-INSULIN-DEPENDENT DIABETES; AGE-RELATED OBESITY; DIBENZO(D,G)(1,3,6)DIOXAZOCINE DERIVATIVES NOVO NORDISK A/S (DK) 1999-12-21 US disclosed
EP-0934312-A1 1,4-DISUBSTITUTED PIPERAZINES NOVO NORDISK A/S (DK) 1999-08-11 EP disclosed
WO-1998015548-A1 1,4-DISUBSTITUTED PIPERAZINES NOVO NORDISK A/S (DK) 1998-04-16 WO disclosed