Oxalic Acid

Oxalic Acid

SCHEMBL7965012

O=C(O)C(=O)O.OC1(c2cnc3ccccc3c2)CCN(CCCOc2ccc(Cl)cc2Cl)CC1

nearest known ligand 0.51

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 20)

geneUniProtsupporting neighboursconfidence
OPRM1 known ✓ P35372 1/20 0.45
SLC6A4 known ✓ P31645 1/20 0.42
KDM4E B2RXH2 3/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
OPRD1 P41143 1/20 0.45
ALDH1A1 P00352 1/20 0.45
THRB P10828 1/20 0.45
DRD2 P14416 5/20 0.44
CCR1 P32246 1/20 0.43
DRD3 P35462 3/20 0.42
DRD4 P21917 2/20 0.42
KCNA5 P22460 1/20 0.42
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
HTR1A P08908 2/20 0.42
HTR2A P28223 2/20 0.42
DRD1 P21728 1/20 0.42
DRD5 P21918 1/20 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
SCHEMBL7963819 0.95 MAOA (0.46) NPC1RAB9AOPRM1OPRD1DRD2
SCHEMBL7965014 0.86 OPRM1 (0.43) KDM4ENPC1RAB9ASMN1; SMN2OPRM1
Oxalic Acid SCHEMBL7966526 0.85 KDM4E (0.54) KDM4ENPC1RAB9ASMN1; SMN2ALDH1A1
Oxalic Acid SCHEMBL7966500 0.81 KMT2A (0.52) KDM4EALDH1A1DRD2DRD3HTR7
SCHEMBL7964394 0.81 OPRL1 (0.43) OPRM1OPRD1DRD2CCR1DRD3
SCHEMBL7964392 0.81 CYP1A2 (0.58) SMN1; SMN2
SCHEMBL7962754 0.81 ALDH1A1 (0.56) KDM4ESMN1; SMN2ALDH1A1DRD2CCR1
SCHEMBL7964386 0.80 LMNA (0.39) KDM4ENPC1RAB9ASMN1; SMN2OPRM1
SCHEMBL7964899 0.79 ALDH1A1 (0.50) KDM4ESMN1; SMN2ALDH1A1DRD2DRD3
SCHEMBL7965519 0.77 ALDH1A1 (0.51) KDM4EALDH1A1DRD2CCR1DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6242450-B1 SUBSTITUTED PIPERIDINES ELI LILLY AND COMPANY 2001-06-05 US disclosed
EP-0976746-A1 5-HT1F antagonists ELI LILLY AND COMPANY (US) 2000-02-02 EP disclosed
EP-0976747-A2 Use of 5HT-1F receptor antagonists for treating anxiety disorders ELI LILLY AND COMPANY (US) 2000-02-02 EP disclosed