Oxalic Acid

Oxalic Acid

SCHEMBL9634982

CCOCCn1c(CN2CCN(CCCOc3ccc(F)cc3)CC2)nc2cccnc21.CCOCCn1c(CN2CCN(CCCOc3ccc(F)cc3)CC2)nc2cccnc21.O=C(O)C(=O)O

nearest known ligand 0.73

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
SLC6A9 P48067 1/20 0.73
HTR2A P28223 4/20 0.46
HTR1A P08908 3/20 0.46
DRD2 P14416 3/20 0.46
DRD3 P35462 3/20 0.46
DRD1 P21728 2/20 0.46
HRH1 P35367 4/20 0.45
HRH2 P25021 1/20 0.45
ALDH1A1 P00352 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
ADRA2C P18825 1/20 0.44
DRD5 P21918 1/20 0.44
HTR7 P34969 1/20 0.44
TP53 P04637 3/20 0.43
CHRM5 P08912 1/20 0.43
CHRM1 P11229 1/20 0.43
HRH3 Q9Y5N1 2/20 0.42
TMEM97 Q5BJF2 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
KDM4E B2RXH2 1/20 0.42

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 SCHEMBL9634977 1.00 SLC6A9 (0.73) SLC6A9HTR2AHTR1ADRD2DRD3
Oxalic Acid SCHEMBL9685777 0.89 SLC6A9 (0.70) SLC6A9HTR2AHTR1ADRD2DRD3
Oxalic Acid SCHEMBL9636287 0.89 SLC6A9 (0.70) SLC6A9HTR2AHTR1ADRD2DRD3
Oxalic Acid SCHEMBL9870147 0.87 SLC6A9 (0.66) SLC6A9ALDH1A1TP53CHRM5CHRM1
Oxalic Acid SCHEMBL9870156 0.87 SLC6A9 (0.66) SLC6A9ALDH1A1TP53CHRM5CHRM1
Oxalic Acid SCHEMBL9634587 0.87 SLC6A9 (0.65) SLC6A9HRH1ALDH1A1SMN1; SMN2TP53
SCHEMBL8210130 0.84 SLC6A9 (1.00) SLC6A9HTR2AHTR1ADRD2DRD3
Oxalic Acid SCHEMBL9636289 0.83 SLC6A9 (0.63) SLC6A9ALDH1A1SMN1; SMN2TP53CHRM5
Oxalic Acid SCHEMBL9636294 0.83 SLC6A9 (0.63) SLC6A9ALDH1A1SMN1; SMN2TP53CHRM5
Oxalic Acid SCHEMBL9636284 0.83 SLC6A9 (0.61) SLC6A9ALDH1A1SMN1; SMN2TP53CHRM5

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
EP-0307014-B1 ANTI-ALLERGIC 2-(HETEROCYCLYL ALKYL) IMIDAZO PYRIDINES AND 2-(HETEROCYCLYL ALKYL) PURINES JANSSEN PHARMACEUTICA N.V. (BE) 1992-12-09 EP disclosed
US-5086056-A Treating allergic diseases JANSSEN PHARMACEUTICA N.V. (BE) 1992-02-04 US disclosed
US-5011842-A Antihistamines JANSSEN PHARMACEUTICA N.V. (BE) 1991-04-30 US disclosed
US-4946843-A ANTIALLERGENS JANSSEN PHARMACEUTICA N.V. (BE) 1990-08-07 US disclosed
EP-0307014-A1 Anti-allergic 2-(heterocyclyl alkyl) imidazo pyridines and 2-(heterocyclyl alkyl) purines JANSSEN PHARMACEUTICA N.V. (BE) 1989-03-15 EP disclosed