Oxalic Acid

Oxalic Acid

SCHEMBL6304609

C[C@@H]1CN(c2ccc(F)c3ccoc23)CCN1.O=C(O)C(=O)O

nearest known ligand 0.64

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 1/20 0.35
HTR2C P28335 1/20 0.64
ALDH1A1 P00352 4/20 0.38
LMNA P02545 1/20 0.38
KDM4E B2RXH2 3/20 0.38
HPGD P15428 3/20 0.38
HSD17B10 Q99714 3/20 0.38
PMP22 Q01453 1/20 0.37
KCNH2 Q12809 2/20 0.37
HRH3 Q9Y5N1 1/20 0.37
POLB P06746 1/20 0.35
PRKD3 O94806 1/20 0.35
ALOX15 P16050 1/20 0.35
CLK2 P49760 1/20 0.35
CLK4 Q9HAZ1 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
USP28 Q96RU2 2/20 0.34
USP25 Q9UHP3 1/20 0.34
WEE1 P30291 1/20 0.33
XIAP P98170 1/20 0.33

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
Oxalic Acid SCHEMBL6305149 1.00 HTR2C (0.64) HTR2CALDH1A1LMNAKDM4EHPGD
Oxalic Acid SCHEMBL6299566 0.82 HTR2C (0.52) HTR2CALDH1A1LMNAKDM4EHPGD
Fumaric Acid SCHEMBL6299233 0.80 HTR2C (0.53) HTR2CALDH1A1LMNAKDM4EHPGD
Fumaric Acid SCHEMBL6299232 0.80 HTR2C (0.53) HTR2CALDH1A1LMNAKDM4EHPGD
SCHEMBL29301889 0.79 HTR2C (0.70) HTR2CALDH1A1LMNA
Fumaric Acid SCHEMBL6974126 0.79 HTR2C (0.82) HTR2CALDH1A1LMNAKDM4EHPGD
Fumaric Acid SCHEMBL6974122 0.79 HTR2C (0.82) HTR2CALDH1A1LMNAKDM4EHPGD
Oxalic Acid SCHEMBL6305419 0.78 HTR2C (0.45) HTR2CALDH1A1LMNAKDM4EHPGD
SCHEMBL6966350 0.78 HTR2C (1.00) HTR2CALDH1A1LMNA
SCHEMBL30099111 0.78 HTR2C (1.00) HTR2CALDH1A1LMNA

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
US-6967201-B1 for increasing activation of the 5-HT2C receptor in mammals; treatment of depression, obesity, bulimia, premenstrual syndrome, alcoholism, tobacco abuse, panic disorder ELI LILLY AND COMPANY (US) 2005-11-22 US disclosed
EP-1204654-B1 BENZOFURYLPIPERAZINES: 5-HT2C SEROTONIN RECEPTOR AGONISTS LILLY CO ELI (US) 2003-07-23 EP disclosed