Oxalic Acid

Oxalic Acid

SCHEMBL9537142

Nc1ccccc1C(=O)NCCN1CCC(Cc2nc3ccncc3n2Cc2ccc(F)cc2)CC1.Nc1ccccc1C(=O)NCCN1CCC(Cc2nc3ccncc3n2Cc2ccc(F)cc2)CC1.O=C(O)C(=O)O

nearest known ligand 0.45

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 13)

geneUniProtsupporting neighboursconfidence
SLC6A4 known ✓ P31645 1/20 0.43
HPGD P15428 1/20 0.43
SLC6A2 P23975 1/20 0.43
TP53 P04637 3/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 3/20 0.42
CCR3 P51677 1/20 0.41
ENPP2 Q13822 1/20 0.41
THRB P10828 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NLRP3 Q96P20 1/20 0.40
POLB P06746 1/20 0.40
GAA P10253 1/20 0.39

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 SCHEMBL9537131 1.00 HPGD (0.43) HPGDSLC6A2SLC6A4TP53LMNA
SCHEMBL10547215 0.90 POLB (0.49) SLC6A2SLC6A4CCR3POLB
SCHEMBL10549253 0.84 CCR3 (0.52) CCR3POLB
SCHEMBL10552594 0.84 LMNA (0.54) TP53LMNAMAPTENPP2THRB
Oxalic Acid SCHEMBL9537337 0.84 ENPP2 (0.44) HPGDTP53LMNAMAPTENPP2
Oxalic Acid SCHEMBL9537334 0.84 ENPP2 (0.44) HPGDTP53LMNAMAPTENPP2
SCHEMBL9544455 0.82 POLB (0.52) SLC6A2SLC6A4TP53LMNAMAPT
SCHEMBL9536266 0.82 OPRK1 (0.51) SLC6A2SLC6A4TP53POLB
Oxalic Acid SCHEMBL9540168 0.81 ENPP2 (0.44) HPGDTP53LMNAMAPTENPP2
Oxalic Acid SCHEMBL9540171 0.81 ENPP2 (0.44) HPGDTP53LMNAMAPTENPP2

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