Oxalic Acid

Oxalic Acid

SCHEMBL7966526

O=C(O)C(=O)O.OC1(c2cnc3ccccc3c2)CCN(CCCOc2ccccc2)CC1

nearest known ligand 0.57

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 0.45
KDM4E B2RXH2 6/20 0.54
ALDH1A1 P00352 5/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
KMT2A Q03164 3/20 0.53
MEN1 O00255 2/20 0.53
LMNA P02545 1/20 0.53
LTA4H P09960 2/20 0.48
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
DRD2 P14416 3/20 0.45
DRD3 P35462 2/20 0.45
HTR1A P08908 1/20 0.45
DRD1 P21728 1/20 0.45
DRD5 P21918 1/20 0.45
SLC6A2 P23975 1/20 0.45
HTR2A P28223 1/20 0.45
HTR7 P34969 1/20 0.45
HRH1 P35367 1/20 0.45
HTR2B P41595 1/20 0.45

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
SCHEMBL7962754 0.96 ALDH1A1 (0.56) KDM4EALDH1A1SMN1; SMN2KMT2AMEN1
Oxalic Acid SCHEMBL7966500 0.86 KMT2A (0.52) KDM4EALDH1A1KMT2AMEN1LMNA
Oxalic Acid SCHEMBL7965012 0.85 KDM4E (0.46) KDM4EALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL7966533 0.85 KDM4E (0.47) KDM4EALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL7964658 0.84 MEN1 (0.48) ALDH1A1KMT2AMEN1LMNALTA4H
SCHEMBL7966189 0.81 LTA4H (0.50) ALDH1A1KMT2AMEN1LMNALTA4H
SCHEMBL7966346 0.80 CYP2D6 (0.49) KDM4EALDH1A1KMT2AMEN1LMNA
SCHEMBL7969555 0.80 OPRL1 (0.45) KDM4EALDH1A1KMT2AMEN1LMNA
SCHEMBL7963819 0.79 MAOA (0.46) LMNANPC1RAB9ADRD2DRD3
SCHEMBL7964899 0.79 ALDH1A1 (0.50) KDM4EALDH1A1SMN1; SMN2KMT2AMEN1

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