Oxalic Acid

Oxalic Acid

SCHEMBL9602525

Cc1cccc(N2CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)n1.O=C(O)C(=O)O

nearest known ligand 0.58

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 0.58
OPRM1 known ✓ P35372 3/20 0.50
DRD3 P35462 10/20 0.58
HTR2A P28223 9/20 0.58
DRD2 P14416 5/20 0.58
ADRA1A P35348 4/20 0.58
HRH1 P35367 4/20 0.58
OPRK1 P41145 4/20 0.58
SLC6A3 Q01959 4/20 0.58
KCNH2 Q12809 3/20 0.58
OPRD1 P41143 3/20 0.58
ADORA3 P0DMS8 3/20 0.58
CYP3A4 P08684 2/20 0.58
CYP2D6 P10635 2/20 0.58
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
MLNR O43193 1/20 0.58
NR1I2 O75469 1/20 0.58
USP2 O75604 1/20 0.58
LMNA P02545 1/20 0.58

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 SCHEMBL9601481 0.81 DRD3 (0.54) DRD3HTR2ADRD2ADRA1AHRH1
Fumaric Acid SCHEMBL9601489 0.81 DRD3 (0.54) DRD3HTR2ADRD2ADRA1AHRH1
Hydrochloric Acid SCHEMBL9601527 0.81 DRD3 (0.54) DRD3HTR2ADRD2ADRA1AHRH1
SCHEMBL9602299 0.78 HTR2A (0.52) DRD3HTR2ADRD2ADRA1AHRH1
Fumaric Acid SCHEMBL7860253 0.78 HTR1A (0.61) DRD3HTR2ADRD2HRH1KCNH2
Fumaric Acid SCHEMBL7860254 0.78 HTR1A (0.61) DRD3HTR2ADRD2HRH1KCNH2
Hydrochloric Acid SCHEMBL9603058 0.76 DRD2 (0.79) DRD3HTR2ADRD2HRH1SLC6A3
SCHEMBL6525544 0.75 KCNH2 (0.63) DRD3HTR2ADRD2KCNH2CYP3A4
Oxalic Acid SCHEMBL9602668 0.75 DRD3 (0.50) DRD3HTR2ADRD2ADRA1AHRH1
SCHEMBL9601301 0.74 DRD2 (0.56) DRD3HTR2ADRD2ADRA1AHRH1

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 2 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