Oxalic Acid

Oxalic Acid

SCHEMBL9687644

CCn1nnn(CCN2CCC(Nc3nc4ccccc4n3Cc3ccc(C)o3)CC2)c1=O.CCn1nnn(CCN2CCC(Nc3nc4ccccc4n3Cc3ccc(C)o3)CC2)c1=O.O=C(O)C(=O)O

nearest known ligand 0.47

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
SLC6A4 known ✓ P31645 1/20 0.42
OPRM1 known ✓ P35372 1/20 0.42
KCNH2 Q12809 12/20 0.47
SSTR5 P35346 4/20 0.45
HRH1 P35367 2/20 0.44
HRH4 Q9H3N8 2/20 0.44
NR4A2 P43354 1/20 0.43
CYP2D6 P10635 2/20 0.42
HTT P42858 2/20 0.42
MEN1 O00255 1/20 0.42
MLNR O43193 1/20 0.42
CACNA1F O60840 1/20 0.42
EED O75530 1/20 0.42
USP2 O75604 1/20 0.42
ABCB11 O95342 1/20 0.42
EGFR P00533 1/20 0.42
LMNA P02545 1/20 0.42
HLA-A P04439 1/20 0.42
ERBB2 P04626 1/20 0.42
TP53 P04637 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
Oxalic Acid SCHEMBL9687648 1.00 KCNH2 (0.47) KCNH2SSTR5HRH1HRH4NR4A2
Oxalic Acid SCHEMBL9630287 0.84 SSTR5 (0.49) KCNH2SSTR5HRH1HRH4NR4A2
Oxalic Acid SCHEMBL9630277 0.84 SSTR5 (0.49) KCNH2SSTR5HRH1HRH4NR4A2
SCHEMBL9870928 0.84 MEN1 (0.38) KCNH2SSTR5CYP2D6HTTMEN1
Oxalic Acid SCHEMBL9690858 0.82 SSTR5 (0.46) KCNH2SSTR5HRH1HRH4NR4A2
Oxalic Acid SCHEMBL9690852 0.82 SSTR5 (0.46) KCNH2SSTR5HRH1HRH4NR4A2
SCHEMBL9630514 0.82 SSTR5 (0.48) KCNH2SSTR5HRH1HRH4NR4A2
SCHEMBL9687682 0.80 SSTR5 (0.52) KCNH2SSTR5HRH1HRH4NR4A2
SCHEMBL9687522 0.80 KCNH2 (0.47) KCNH2SSTR5HRH1HRH4NR4A2
Oxalic Acid SCHEMBL9630530 0.80 SSTR5 (0.44) KCNH2SSTR5HRH1HRH4NR4A2

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-0295742-B1 NOVEL N-(4-PIPERIDINYL) BICYCLIC CONDENSED 2-IMIDAZOLAMINE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 1992-08-26 EP disclosed
US-5006527-A Antihistamines, antiallergens JANSSEN PHARMACEUTICA N.V. (BE) 1991-04-09 US disclosed
US-4897401-A N-(4-piperidinyl) bicyclic condensed 2-imidazolamine derivatives useful in treating allergic diseases JANSSEN PHARMACEUTICAL N.V. (BE) 1990-01-30 US disclosed
EP-0295742-A1 Novel N-(4-piperidinyl) bicyclic condensed 2-imidazolamine derivatives JANSSEN PHARMACEUTICA N.V. (BE) 1988-12-21 EP disclosed