Oxalic Acid

Oxalic Acid

SCHEMBL7867306

CCN1CC=C(c2c[nH]c3ccc(C#N)cc23)CC1.O=C(O)C(=O)O

nearest known ligand 0.74

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
SLC6A4 known ✓ P31645 1/20 0.66
KDM4E B2RXH2 1/20 0.58
LMNA P02545 1/20 0.58
ALOX15 P16050 1/20 0.58
HTR1A P08908 4/20 0.54
HTR6 P50406 1/20 0.53
HTR1F P30939 1/20 0.50
DRD2 P14416 1/20 0.49
HTR2A P28223 1/20 0.49

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 SCHEMBL7865005 0.93 KDM4E (0.59) SLC6A4KDM4ELMNAALOX15HTR1A
SCHEMBL6345407 0.82 SLC6A4 (0.69) SLC6A4HTR1AHTR6
SCHEMBL7859795 0.82 OPRM1 (0.74) SLC6A4HTR1AHTR6DRD2HTR2A
SCHEMBL16801569 0.81 SLC6A4 (0.71) SLC6A4HTR1AHTR6
SCHEMBL7527363 0.80 SLC6A4 (0.66) SLC6A4HTR1AHTR6DRD2HTR2A
Oxalic Acid SCHEMBL7865012 0.80 SLC6A4 (0.40) SLC6A4KDM4ELMNAALOX15HTR1A
Oxalic Acid SCHEMBL7868026 0.80 CYP19A1 (0.44) SLC6A4HTR6HTR1FDRD2
SCHEMBL1122074 0.80 SLC6A4 (1.00) SLC6A4KDM4ELMNAALOX15HTR1A
Oxalic Acid SCHEMBL7867400 0.78 KDM4E (0.55) SLC6A4KDM4ELMNAALOX15HTR1A
Oxalic Acid SCHEMBL7864882 0.78 KDM4E (0.55) SLC6A4KDM4ELMNAALOX15HTR1A

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