Oxalic Acid

Oxalic Acid

SCHEMBL7867378

CN1CC=C(c2csc3ccc(Cl)cc23)CC1.O=C(O)C(=O)O

nearest known ligand 0.52

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 8)

geneUniProtsupporting neighboursconfidence
SLC6A4 known ✓ P31645 1/20 0.52
HTR6 P50406 4/20 0.46
DRD2 P14416 1/20 0.43
DRD4 P21917 1/20 0.43
MAPT P10636 1/20 0.42
KEAP1 Q14145 1/20 0.41
NFE2L2 Q16236 1/20 0.41
CYP2A6 P11509 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
SCHEMBL7000439 0.78 SLC6A4 (0.42) SLC6A4HTR6
Bromide SCHEMBL7870832 0.77 SLC6A4 (0.57) SLC6A4HTR6DRD2
Oxalic Acid SCHEMBL7859566 0.76 SLC6A4 (0.42) SLC6A4HTR6DRD2DRD4
SCHEMBL6996625 0.76 SLC6A4 (0.62) SLC6A4HTR6
SCHEMBL11874262 0.75 HTR6 (0.55) SLC6A4HTR6DRD2DRD4
SCHEMBL6994397 0.73 BLM (0.39) MAPT
SCHEMBL7867447 0.73 SLC6A4 (0.45) SLC6A4HTR6
Oxalic Acid SCHEMBL7865012 0.70 SLC6A4 (0.40) SLC6A4DRD2DRD4MAPT
Benzoic Acid SCHEMBL7864856 0.70 HTR6 (0.46) SLC6A4HTR6
Bromide SCHEMBL7870911 0.70 SLC6A4 (0.54) SLC6A4HTR6DRD2

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