Oxalic Acid

Oxalic Acid

SCHEMBL7313643

Cc1ccc(F)cc1OC(CCN(C)C)c1ccccc1.O=C(O)C(=O)O

nearest known ligand 0.51

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 3/20 0.46
OPRM1 known ✓ P35372 2/20 0.44
SLC6A9 P48067 5/20 0.47
HRH3 Q9Y5N1 3/20 0.46
ALDH1A1 P00352 2/20 0.45
KDM4E B2RXH2 1/20 0.45
CYP2D6 P10635 4/20 0.45
MAPT P10636 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
SLC6A5 Q9Y345 1/20 0.45
CYP1A2 P05177 3/20 0.44
CYP3A4 P08684 3/20 0.44
CHRM1 P11229 2/20 0.44
TSHR P16473 2/20 0.44
ADRA2B P18089 2/20 0.44
SLC6A2 P23975 2/20 0.44
HTR2A P28223 2/20 0.44
HTR2C P28335 2/20 0.44
HRH1 P35367 2/20 0.44

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 SCHEMBL7313636 0.91 SLC6A9 (0.47) SLC6A9SLC6A4HRH3ALDH1A1KDM4E
Oxalic Acid SCHEMBL5033726 0.88 CYP1A2 (0.57) SLC6A9SLC6A4HRH3ALDH1A1KDM4E
SCHEMBL8197707 0.81 CYP2D6 (0.64) SLC6A9SLC6A4HRH3CYP2D6CYP2C9
SCHEMBL3894545 0.81 CYP2D6 (0.64) SLC6A9SLC6A4HRH3CYP2D6CYP2C9
SCHEMBL6721958 0.80 SLC6A4 (0.52) SLC6A9SLC6A4HRH3SLC6A2HTR2A
Oxalic Acid SCHEMBL7317340 0.80 KDM4E (0.69) SLC6A9SLC6A4HRH3ALDH1A1KDM4E
Oxalic Acid SCHEMBL7310142 0.79 SLC6A9 (0.51) SLC6A9SLC6A4HRH3ALDH1A1KDM4E
Oxalic Acid SCHEMBL7314749 0.79 KDM4E (0.56) SLC6A9SLC6A4HRH3ALDH1A1KDM4E
Oxalic Acid SCHEMBL7316393 0.79 SLC6A9 (0.51) SLC6A9SLC6A4HRH3ALDH1A1KDM4E
Oxalic Acid SCHEMBL1534190 0.78 SLC6A9 (0.44) SLC6A9SLC6A4HRH3

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
US-4626549-A Treatment of obesity with aryloxyphenylpropylamines ELI LILLY AND COMPANY (US) 1986-12-02 US disclosed
US-4314081-A ANTIDEPRESSANTS ELI LILLY AND COMPANY (US) 1982-02-02 US disclosed
US-4194009-A ANTIDEPRESSANT ELI LILLY AND COMPANY (US) 1980-03-18 US disclosed
US-4018895-A Aryloxyphenylpropylamines in treating depression ELI LILLY AND COMPANY (US) 1977-04-19 US disclosed