Oxalic Acid

Oxalic Acid

SCHEMBL7966039

O=C(O)C(=O)O.c1ccc2c(C3CCN(CCCOc4cccc5[nH]ccc45)CC3)cncc2c1

nearest known ligand 0.46

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 16)

geneUniProtsupporting neighboursconfidence
SLC6A4 known ✓ P31645 2/20 0.44
HTR1A P08908 6/20 0.46
DRD4 P21917 1/20 0.45
MCL1 Q07820 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
KDM4E B2RXH2 1/20 0.42
USP2 O75604 1/20 0.42
ALDH1A1 P00352 1/20 0.42
POLB P06746 1/20 0.42
DRD2 P14416 3/20 0.42
HTR6 P50406 3/20 0.42
HTR2A P28223 2/20 0.42
HTR7 P34969 2/20 0.42
HRH3 Q9Y5N1 3/20 0.42
DRD3 P35462 1/20 0.41

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
SCHEMBL7963782 0.95 HTR1A (0.47) HTR1ADRD4SLC6A4HRH3
Oxalic Acid SCHEMBL7882940 0.84 ALDH1A1 (0.48) HTR1AMCL1MEN1KMT2AKDM4E
SCHEMBL7964959 0.81 HTR1A (0.69) HTR1ASLC6A4
SCHEMBL7964964 0.81 HTR1A (0.47) HTR1ASLC6A4DRD2HTR6HTR2A
SCHEMBL7964956 0.81 HTR1A (0.47) HTR1ASLC6A4
SCHEMBL6621723 0.79 HTR1A (0.51) HTR1ASLC6A4
Hydrochloric Acid SCHEMBL7885522 0.79 ADRA1D (0.64) HTR1ASLC6A4
Oxalic Acid SCHEMBL7884134 0.78 MEN1 (0.42) HTR1ASLC6A4MEN1KMT2AHTR7
SCHEMBL7962445 0.77 HTR1A (0.42) HTR1ADRD4SLC6A4MCL1MEN1
SCHEMBL7965634 0.76 HTR1A (0.47) HTR1ADRD4SLC6A4HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6242450-B1 SUBSTITUTED PIPERIDINES ELI LILLY AND COMPANY 2001-06-05 US disclosed
WO-2000006082-A2 TREATMENT OF ANXIETY DISORDERS ELI LILLY AND COMPANY (US) 2000-02-10 WO disclosed
WO-2000006166-A1 5-HT1F ANTAGONISTS ELI LILLY AND COMPANY (US) 2000-02-10 WO disclosed
EP-0976746-A1 5-HT1F antagonists ELI LILLY AND COMPANY (US) 2000-02-02 EP disclosed
EP-0976747-A2 Use of 5HT-1F receptor antagonists for treating anxiety disorders ELI LILLY AND COMPANY (US) 2000-02-02 EP disclosed