Oxalic Acid

Oxalic Acid

SCHEMBL9600880

O=C(O)C(=O)O.O=C(c1cccnc1N1CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)N1CCOCC1

nearest known ligand 0.48

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 3/20 0.46
SLC6A4 known ✓ P31645 1/20 0.42
MAPT P10636 2/20 0.48
KDM4E B2RXH2 1/20 0.48
DRD3 P35462 6/20 0.46
HTR2A P28223 4/20 0.46
ADRA1A P35348 4/20 0.46
HRH1 P35367 4/20 0.46
OPRK1 P41145 4/20 0.46
SLC6A3 Q01959 4/20 0.46
CACNA1F O60840 3/20 0.46
DRD4 P21917 3/20 0.46
DRD5 P21918 3/20 0.46
HRH2 P25021 3/20 0.46
ADRA1D P25100 3/20 0.46
HTR7 P34969 3/20 0.46
ADRA1B P35368 3/20 0.46
HTR6 P50406 3/20 0.46
CACNA1D Q01668 3/20 0.46
CACNA1S Q13698 3/20 0.46

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
Fumaric Acid SCHEMBL9602972 0.87 DRD3 (0.46) KDM4EDRD3HTR2AADRA1AHRH1
Fumaric Acid SCHEMBL9602977 0.87 DRD3 (0.46) KDM4EDRD3HTR2AADRA1AHRH1
SCHEMBL7794415 0.85 DRD3 (0.53) MAPTKDM4EDRD3HTR2AADRA1A
Fumaric Acid SCHEMBL9601828 0.82 KMT2A (0.46) DRD3HTR2AADRA1AHRH1OPRK1
Fumaric Acid SCHEMBL9601839 0.82 KMT2A (0.46) DRD3HTR2AADRA1AHRH1OPRK1
Hydrochloric Acid SCHEMBL9602476 0.82 DRD3 (0.51) MAPTKDM4EDRD3HTR2AADRA1A
Alcohol SCHEMBL9600777 0.82 KMT2A (0.54) MAPTDRD3HTR2AADRA1AHRH1
SCHEMBL7767918 0.81 LMNA (0.53) MAPTDRD3HTR2AADRA1AHRH1
Hydrochloric Acid SCHEMBL9602731 0.80 MEN1 (0.52) MAPTDRD3HTR2AADRA1AHRH1
Hydrochloric Acid SCHEMBL7920769 0.80 LMNA (0.52) MAPTDRD3HTR2AADRA1AHRH1

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-0308476-B1 BISPHENYLALKYLPIPERAZINE DERIVATIVES, A METHOD OF THEIR PREPARATION AND A PHARMACEUTICAL PREPARATION Kabi Pharmacia AB (SE) 1993-02-03 EP disclosed
US-4937245-A ANTIDEPRESSANTS, ANXIOLYTIC AGENTS FEX TOMAS (SE) 1990-06-26 US disclosed
EP-0308476-A1 BISPHENYLALKYLPIPERAZINE DERIVATIVES, A METHOD OF THEIR PREPARATION AND A PHARMACEUTICAL PREPARATION. LEO AB (SE) 1989-03-29 EP disclosed
WO-1988007528-A1 BISPHENYLALKYLPIPERAZINE DERIVATIVES, A METHOD OF THEIR PREPARATION AND A PHARMACEUTICAL PREPARATION AKTIEBOLAGET LEO (SE) 1988-10-06 WO disclosed