Oxalic Acid

Oxalic Acid

SCHEMBL7996861

O=C(O)C(=O)O.O=C1C(c2ccccc2)SCN1CCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1

nearest known ligand 0.59

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 9)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 4/20 0.56
DRD2 P14416 3/20 0.55
DRD3 P35462 3/20 0.55
DRD5 P21918 1/20 0.55
SIGMAR1 Q99720 1/20 0.55
DRD1 P21728 1/20 0.52
HTR1A P08908 1/20 0.52
HTR2A P28223 1/20 0.52
HTR6 P50406 1/20 0.52

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
SCHEMBL7993783 0.96 HTR7 (0.60) HTR7DRD2DRD3DRD5SIGMAR1
SCHEMBL7996866 0.78 DRD2 (0.54) HTR7DRD2DRD3SIGMAR1HTR1A
SCHEMBL7978907 0.77 HTR7 (0.59) HTR7DRD2DRD3DRD5SIGMAR1
SCHEMBL2113032 0.75 SIGMAR1 (0.69) HTR7DRD2DRD3DRD5SIGMAR1
SCHEMBL7991242 0.75 HTR7 (0.65) HTR7DRD2DRD3DRD5SIGMAR1
SCHEMBL4687501 0.74 SIGMAR1 (0.67) HTR7DRD2DRD3DRD5SIGMAR1
SCHEMBL4938916 0.74 SIGMAR1 (0.67) HTR7DRD2DRD3DRD5SIGMAR1
SCHEMBL2114093 0.74 SIGMAR1 (0.67) HTR7DRD2DRD3DRD5SIGMAR1
Hydrochloric Acid SCHEMBL4929355 0.73 SIGMAR1 (0.66) HTR7DRD2DRD3DRD5SIGMAR1
Hydrochloric Acid SCHEMBL7993795 0.73 HTR7 (0.62) HTR7DRD2DRD3DRD5SIGMAR1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6284775-B1 PSYCHOLOGICAL DISORDERS AVENTIS PHARMACEUTICALS INC. 2001-09-04 US disclosed
US-5371087-A Antipsychotic, analgesics, anticonvulsant and anxiolytic agent HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1994-12-06 US disclosed
US-5229388-A 3-[4-(1-substituted-4-piperazinyl)butyl]-4-thiazolidinone and related compounds HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1993-07-20 US disclosed
EP-0316723-B1 3-[4(1-Substituted-4-piperazinyl)butyl]-4-thiazolidinones a process for their preparation and their use as medicaments HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1992-09-30 EP disclosed
US-5136037-A 3-(4-substituted-4-piperazinyl)butyl-4-thiazolidinone and related compounds HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1992-08-04 US disclosed
US-5037984-A Anticonvulsants; anxiolytic agents HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1991-08-06 US disclosed
US-4933453-A ANTIPSYCHOTIC, ANALGESIC, ANTICONVULSANT, AND ANXIOLYTIC AGENTS HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1990-06-12 US disclosed
EP-0316723-A1 3-[4(1-Substituted-4-piperazinyl)butyl]-4-thiazolidinones a process for their preparation and their use as medicaments HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1989-05-24 EP disclosed