Oxalic Acid

Oxalic Acid

SCHEMBL9537860

O=C(NCCN1CCC(Cc2nc3ccccc3n2Cc2ccc(F)cc2)CC1)c1nccs1.O=C(NCCN1CCC(Cc2nc3ccccc3n2Cc2ccc(F)cc2)CC1)c1nccs1.O=C(O)C(=O)O

nearest known ligand 0.46

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 16)

geneUniProtsupporting neighboursconfidence
SLC6A4 known ✓ P31645 1/20 0.44
POLB P06746 1/20 0.46
SLC6A9 P48067 1/20 0.44
SSTR5 P35346 2/20 0.44
SLC6A2 P23975 1/20 0.44
CCR3 P51677 1/20 0.42
NR4A2 P43354 1/20 0.42
KCNH2 Q12809 1/20 0.42
HPGD P15428 1/20 0.42
TSHR P16473 1/20 0.42
HRH1 P35367 2/20 0.42
TACR2 P21452 1/20 0.42
TACR1 P25103 1/20 0.42
MCHR1 Q99705 1/20 0.41
CYP2D6 P10635 1/20 0.41
TP53 P04637 1/20 0.41

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 SCHEMBL9537867 1.00 POLB (0.46) POLBSLC6A9SSTR5SLC6A2SLC6A4
Oxalic Acid SCHEMBL9540585 0.88 ALDH1A1 (0.53) POLBSSTR5SLC6A2SLC6A4CCR3
Oxalic Acid SCHEMBL9540591 0.88 ALDH1A1 (0.53) POLBSSTR5SLC6A2SLC6A4CCR3
SCHEMBL9536186 0.86 MAPT (0.56) POLBSSTR5SLC6A2SLC6A4CCR3
Oxalic Acid SCHEMBL9538009 0.86 PLD2 (0.47) POLBSSTR5SLC6A2SLC6A4CCR3
Oxalic Acid SCHEMBL9538011 0.86 PLD2 (0.47) POLBSSTR5SLC6A2SLC6A4CCR3
Oxalic Acid SCHEMBL10554393 0.85 SLC6A2 (0.51) POLBSSTR5SLC6A2SLC6A4CCR3
Oxalic Acid SCHEMBL10554399 0.85 SLC6A2 (0.51) POLBSSTR5SLC6A2SLC6A4CCR3
Oxalic Acid SCHEMBL10798288 0.84 ALDH1A1 (0.46) POLBSLC6A9SSTR5NR4A2KCNH2
Oxalic Acid SCHEMBL10552513 0.83 SSTR5 (0.51) SSTR5NR4A2KCNH2HRH1TACR2

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-4839374-A TREATING ALLERGIES JANSSEN PHARMACEUTICA, N.V. (BE) 1989-06-13 US disclosed
US-4695575-A ANTIHISTAMINES JANSSEN PHARMACEUTICA, N.V. (BE) 1987-09-22 US disclosed