Oxalic Acid

Oxalic Acid

SCHEMBL7867972

Clc1ccc2c(C3CCN(CCc4cnn(-c5ccccc5)c4)CC3)c[nH]c2c1.O=C(O)C(=O)O

nearest known ligand 0.48

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 17)

geneUniProtsupporting neighboursconfidence
OPRM1 known ✓ P35372 1/20 0.48
OPRK1 P41145 1/20 0.48
OPRL1 P41146 1/20 0.48
KDM4A O75164 5/20 0.46
KDM4B O94953 5/20 0.46
KDM5C P41229 5/20 0.46
KDM5B Q9UGL1 5/20 0.46
DRD4 P21917 4/20 0.45
HTR2C P28335 3/20 0.45
KDM2A Q9Y2K7 3/20 0.45
KDM3A Q9Y4C1 2/20 0.45
MAPK1 P28482 1/20 0.44
RECQL P46063 1/20 0.44
DRD2 P14416 1/20 0.43
DRD3 P35462 1/20 0.43
AVPR1A P37288 1/20 0.42
CCR2 P41597 4/20 0.42

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 SCHEMBL9048518 0.93 OPRM1 (0.58) OPRM1OPRK1OPRL1KDM4AKDM4B
Oxalic Acid SCHEMBL9049148 0.89 OPRM1 (0.55) OPRM1OPRK1OPRL1KDM4AKDM4B
Oxalic Acid SCHEMBL7859768 0.89 OPRM1 (0.48) OPRM1OPRK1OPRL1KDM4AKDM4B
Oxalic Acid SCHEMBL9045773 0.86 OPRM1 (0.51) OPRM1OPRK1OPRL1KDM4AKDM4B
Oxalic Acid SCHEMBL9048940 0.86 OPRM1 (0.51) OPRM1OPRK1OPRL1KDM4AKDM4B
Oxalic Acid SCHEMBL9044366 0.86 OPRM1 (0.51) OPRM1OPRK1OPRL1KDM4AKDM4B
Oxalic Acid SCHEMBL9046671 0.86 OPRM1 (0.51) OPRM1OPRK1OPRL1KDM4AKDM4B
Oxalic Acid SCHEMBL7864877 0.85 OPRM1 (0.44) OPRM1OPRK1OPRL1DRD2AVPR1A
Oxalic Acid SCHEMBL9046888 0.85 CCR2 (0.44) OPRM1OPRK1OPRL1KDM4AKDM4B
Oxalic Acid SCHEMBL9046848 0.85 HTR1A (0.51) OPRM1OPRK1OPRL1KDM4AKDM4B

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