Oxalic Acid

Oxalic Acid

SCHEMBL9538009

O=C(NCCN1CCC(Cc2nc3ccccc3n2Cc2ccc(F)cc2)CC1)c1ccsc1.O=C(NCCN1CCC(Cc2nc3ccccc3n2Cc2ccc(F)cc2)CC1)c1ccsc1.O=C(O)C(=O)O

nearest known ligand 0.47

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 11)

geneUniProtsupporting neighboursconfidence
SLC6A4 known ✓ P31645 2/20 0.44
PLD2 O14939 1/20 0.47
CCR3 P51677 1/20 0.47
POLB P06746 2/20 0.46
MAPT P10636 1/20 0.46
SSTR5 P35346 2/20 0.44
SLC6A2 P23975 2/20 0.44
TP53 P04637 1/20 0.44
CHRM4 P08173 1/20 0.43
NR4A2 P43354 1/20 0.43
KCNH2 Q12809 1/20 0.43

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 SCHEMBL9538011 1.00 PLD2 (0.47) PLD2CCR3POLBMAPTSSTR5
SCHEMBL9536186 0.90 MAPT (0.56) CCR3POLBMAPTSSTR5SLC6A2
Oxalic Acid SCHEMBL9539654 0.89 SSTR5 (0.44) POLBSSTR5TP53NR4A2KCNH2
Oxalic Acid SCHEMBL10554393 0.87 SLC6A2 (0.51) CCR3POLBSSTR5SLC6A2SLC6A4
Oxalic Acid SCHEMBL10554399 0.87 SLC6A2 (0.51) CCR3POLBSSTR5SLC6A2SLC6A4
Oxalic Acid SCHEMBL9540591 0.87 ALDH1A1 (0.53) CCR3POLBSSTR5SLC6A2SLC6A4
Oxalic Acid SCHEMBL9540585 0.87 ALDH1A1 (0.53) CCR3POLBSSTR5SLC6A2SLC6A4
Oxalic Acid SCHEMBL9537867 0.86 POLB (0.46) CCR3POLBSSTR5SLC6A2SLC6A4
Oxalic Acid SCHEMBL9537860 0.86 POLB (0.46) CCR3POLBSSTR5SLC6A2SLC6A4
SCHEMBL9539081 0.85 SLC6A2 (0.51) CCR3POLBSSTR5SLC6A2SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0151826-B1 4-[(Bicyclic heterocyclyl)-methyl and -hetero]-piperidines JANSSEN PHARMACEUTICA N.V. (BE) 1993-03-31 EP disclosed
US-4695575-A ANTIHISTAMINES JANSSEN PHARMACEUTICA, N.V. (BE) 1987-09-22 US disclosed
EP-0151826-A1 4-[(Bicyclic heterocyclyl)-methyl and -hetero]-piperidines JANSSEN PHARMACEUTICA N.V. (BE) 1985-08-21 EP disclosed