Oxalic Acid

Oxalic Acid

SCHEMBL7867934

CCN1CCC(c2csc3cccc(C#N)c23)CC1.O=C(O)C(=O)O

nearest known ligand 0.43

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 1/20 0.43
DRD2 P14416 3/20 0.43
DRD4 P21917 2/20 0.42
DRD3 P35462 4/20 0.38
HTR6 P50406 2/20 0.38
HRH3 Q9Y5N1 2/20 0.38
CHRM4 P08173 3/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ALDH1A1 P00352 2/20 0.34
NOS3 P29474 2/20 0.34
NOS1 P29475 2/20 0.34
NOS2 P35228 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
KDM2B Q8NHM5 1/20 0.34
CHRM2 P08172 2/20 0.33
CHRM5 P08912 2/20 0.33
CHRM1 P11229 2/20 0.33
CHRM3 P20309 2/20 0.33
DPP4 P27487 1/20 0.33

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 SCHEMBL7866371 0.83 DRD2 (0.43) DRD2SLC6A4DRD4DRD3HTR6
Oxalic Acid SCHEMBL7870865 0.79 SLC6A4 (0.47) DRD2SLC6A4DRD4DRD3HTR6
Oxalic Acid SCHEMBL7870888 0.77 DRD2 (0.46) DRD2SLC6A4DRD3HRH3CHRM4
Oxalic Acid SCHEMBL7864905 0.77 DRD2 (0.46) DRD2SLC6A4DRD3HRH3CHRM4
SCHEMBL14163184 0.75 DRD4 (0.54) DRD2SLC6A4DRD4DRD3HTR6
Oxalic Acid SCHEMBL7867275 0.74 SLC6A4 (0.47) DRD2SLC6A4DRD4DRD3HTR6
Oxalic Acid SCHEMBL7868023 0.74 KMT2A (0.42) DRD2DRD4CHRM4MEN1KMT2A
Oxalic Acid SCHEMBL7870894 0.73 CHRNA7 (0.43) DRD2SLC6A4DRD4DRD3HTR6
SCHEMBL2781201 0.73 DRD4 (0.47) DRD2SLC6A4DRD4DRD3HTR6
Phosphoric Acid SCHEMBL7864985 0.73 DRD2 (0.42) DRD2SLC6A4DRD3HTR6HRH3

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-1077213-A2 Inhibition of serotonin reuptake ELI LILLY AND COMPANY (US) 2001-02-21 EP disclosed
US-6046215-A A PIPERIDINYLBENZOTHIOPHENES USEFUL FOR TRATING BRAIN DISORDERS ELI LILLY AND COMPANY (US) 2000-04-04 US disclosed
US-5846982-A Inhibition of serotonin reuptake ELI LILLY AND COMPANY (US) 1998-12-08 US disclosed
WO-1997047302-A1 INHIBITION OF SEROTONIN REUPTAKE ELI LILLY AND COMPANY (US) 1997-12-18 WO disclosed
EP-0812826-A1 1H-indole and benzo(b)thiophene derivatives with 4-(1,2,3,6-tetra:hydro:pyridinyl)- and 4-piperidinyl-groups bound to the heterocyclic ring as inhibitors of serotonin reuptake ELI LILLY AND COMPANY (US) 1997-12-17 EP disclosed