Oxalic Acid

Oxalic Acid

SCHEMBL7867764

O=C(O)C(=O)O.O=S(=O)(c1ccccc1)n1c(C2=CCN(Cc3ccccc3)CC2)cc2ccccc21

nearest known ligand 0.55

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
OPRM1 known ✓ P35372 1/20 0.38
HTR6 P50406 2/20 0.55
CA12 O43570 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
HDAC4 P56524 1/20 0.41
NAMPT P43490 1/20 0.41
DRD4 P21917 7/20 0.41
DRD3 P35462 6/20 0.41
DRD2 P14416 6/20 0.41
SMN1; SMN2 Q16637 1/20 0.39
HTR1A P08908 1/20 0.39
HTR2A P28223 1/20 0.39
HTT P42858 1/20 0.39
BCL2 P10415 1/20 0.39
BID P55957 1/20 0.39
MCL1 Q07820 1/20 0.39
RECQL P46063 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 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
SCHEMBL7867384 0.96 HTR6 (0.59) HTR6CA12CA2CA9HDAC4
SCHEMBL7867765 0.74 HTR6 (0.57) HTR6HDAC4NAMPTDRD4DRD3
SCHEMBL7085731 0.71 HTR6 (0.53) HTR6DRD4DRD2HTR1AHTR2A
SCHEMBL7864965 0.70 OPRL1 (0.49) HTR6SMN1; SMN2ALDH1A1
SCHEMBL13197452 0.69 CA12 (0.49) HTR6CA12CA2CA9HTT
SCHEMBL3558164 0.67 CA12 (0.78) HTR6CA12CA2CA9HTT
SCHEMBL2395932 0.67 DRD4 (0.67) HDAC4NAMPTDRD4DRD3DRD2
SCHEMBL6042349 0.66 SIGMAR1 (0.59) HDAC4NAMPTDRD4DRD3DRD2
SCHEMBL4030523 0.66 HDAC4 (0.61) HDAC4NAMPTDRD4DRD3DRD2
Oxalic Acid SCHEMBL8709171 0.65 DRD4 (0.89) HDAC4DRD4DRD3DRD2

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