Oxalic Acid

Oxalic Acid

SCHEMBL7866271

CCN1CCC(c2cc3cc(C#N)ccc3s2)CC1.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 14)

geneUniProtsupporting neighboursconfidence
SLC6A4 known ✓ P31645 1/20 0.46
DRD2 P14416 3/20 0.46
HRH3 Q9Y5N1 3/20 0.43
DRD3 P35462 2/20 0.41
KDM2B Q8NHM5 6/20 0.41
UTS2R Q9UKP6 1/20 0.38
SCD5 Q86SK9 1/20 0.37
DRD4 P21917 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
CHRNA7 P36544 1/20 0.36
USP5 P45974 1/20 0.36
USP14 P54578 1/20 0.36
USP7 Q93009 1/20 0.36
CCR5 P51681 1/20 0.36

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 SCHEMBL7866233 0.91 DRD2 (0.46) DRD2SLC6A4HRH3DRD3KDM2B
Oxalic Acid SCHEMBL7870888 0.78 DRD2 (0.46) DRD2SLC6A4HRH3DRD3KDM2B
Oxalic Acid SCHEMBL7865105 0.77 HRH3 (0.44) DRD2HRH3DRD3KDM2BDRD4
Oxalic Acid SCHEMBL7870894 0.77 CHRNA7 (0.43) DRD2SLC6A4HRH3DRD3KDM2B
Oxalic Acid SCHEMBL7864905 0.76 DRD2 (0.46) DRD2SLC6A4HRH3DRD3KDM2B
Maleic Acid SCHEMBL8819087 0.76 F10 (0.34) HRH3UTS2R
Oxalic Acid SCHEMBL7867436 0.75 HRH3 (0.44) DRD2HRH3DRD3KDM2BDRD4
Phosphoric Acid SCHEMBL7867952 0.72 DRD2 (0.45) DRD2SLC6A4CHRNA7
Oxalic Acid SCHEMBL7867572 0.72 SLC6A4 (0.50) DRD2SLC6A4HRH3
SCHEMBL23367743 0.69 HRH3 (0.60) DRD2HRH3DRD3SIGMAR1

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 4 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
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