Oxalic Acid

Oxalic Acid

SCHEMBL8395281

O=C(O)C(=O)O.OC1(c2ccc3cc(OCCc4ccccc4)ccc3c2)CCN(CCCOc2cccc3[nH]ccc23)CC1

nearest known ligand 0.42

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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
SLC6A4 known ✓ P31645 1/20 0.41
DRD2 P14416 10/20 0.42
DRD3 P35462 10/20 0.42
DRD4 P21917 7/20 0.42
MEN1 O00255 2/20 0.41
ALDH1A1 P00352 2/20 0.41
KMT2A Q03164 2/20 0.41
HTR1A P08908 1/20 0.41
DRD1 P21728 1/20 0.41
DRD5 P21918 1/20 0.41
SLC6A2 P23975 1/20 0.41
HTR2A P28223 1/20 0.41
HTR7 P34969 1/20 0.41
HRH1 P35367 1/20 0.41
HTR2B P41595 1/20 0.41
LMNA P02545 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
KDM4E B2RXH2 2/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40

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
SCHEMBL8396379 0.97 DRD2 (0.44) DRD2DRD3DRD4MEN1ALDH1A1
Oxalic Acid SCHEMBL8398992 0.91 DRD2 (0.44) DRD2DRD3DRD4MEN1ALDH1A1
SCHEMBL8395683 0.90 CCR1 (0.43) DRD2DRD3DRD4MEN1ALDH1A1
Oxalic Acid SCHEMBL8400503 0.89 DRD2 (0.49) DRD2DRD3DRD4MEN1ALDH1A1
Oxalic Acid SCHEMBL8400190 0.89 ABCB1 (0.51) HTR1ASLC6A4
SCHEMBL8792505 0.89 MCL1 (0.39) DRD2DRD3DRD4MEN1KMT2A
Oxalic Acid SCHEMBL8399088 0.88 HTR1A (0.48) DRD2DRD3DRD4MEN1ALDH1A1
Oxalic Acid SCHEMBL8400124 0.87 DRD2 (0.43) DRD2DRD3DRD4MEN1ALDH1A1
SCHEMBL7883032 0.86 CCR1 (0.48) DRD2DRD3DRD4MEN1ALDH1A1
SCHEMBL8400183 0.85 DRD2 (0.43) DRD2DRD3DRD4MEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5912256-A 0-(4-INDOLYLOXY)-3-(4-HYDROXY-4-NAPHTHYLPIPERIDIN-1-YL)PROPANE S ELI LILLY AND COMPANY (US) 1999-06-15 US disclosed
EP-0814084-A1 Indole derivatives as 5-HT1A antagonists and as inhibitors of serotonine reuptake ELI LILLY AND COMPANY (US) 1997-12-29 EP disclosed