Oxalic Acid

Oxalic Acid

SCHEMBL9630381

O=C(O)C(=O)O.O=C(O)C(=O)O.O=c1oc2ccccc2cc1CCN1CCC(Nc2nc3ccccc3n2Cc2ccc(F)cc2)C1

nearest known ligand 0.62

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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 0.55
OPRM1 known ✓ P35372 1/20 0.55
SSTR5 P35346 7/20 0.62
EED O75530 2/20 0.60
KCNH2 Q12809 10/20 0.59
NR4A2 P43354 2/20 0.59
HRH1 P35367 2/20 0.55
HRH4 Q9H3N8 2/20 0.55
LMNA P02545 2/20 0.55
GAA P10253 2/20 0.55
MEN1 O00255 1/20 0.55
MLNR O43193 1/20 0.55
CACNA1F O60840 1/20 0.55
USP2 O75604 1/20 0.55
ABCB11 O95342 1/20 0.55
EGFR P00533 1/20 0.55
HLA-A P04439 1/20 0.55
ERBB2 P04626 1/20 0.55
TP53 P04637 1/20 0.55
CYP1A2 P05177 1/20 0.55

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 SCHEMBL9630385 1.00 SSTR5 (0.62) SSTR5EEDKCNH2NR4A2HRH1
SCHEMBL10428783 0.92 SSTR5 (0.70) SSTR5EEDKCNH2NR4A2HRH1
Water SCHEMBL1152158 0.82 SSTR5 (0.55) SSTR5EEDKCNH2NR4A2HRH1
Oxalic Acid SCHEMBL9629805 0.82 SSTR5 (0.67) SSTR5EEDKCNH2NR4A2HRH1
Oxalic Acid SCHEMBL9629799 0.82 SSTR5 (0.67) SSTR5EEDKCNH2NR4A2HRH1
Oxalic Acid SCHEMBL9629813 0.82 SSTR5 (0.67) SSTR5EEDKCNH2NR4A2HRH1
SCHEMBL9629452 0.81 SSTR5 (0.91) SSTR5EEDKCNH2NR4A2HRH1
SCHEMBL10428776 0.81 KCNH2 (0.76) SSTR5EEDKCNH2NR4A2HRH1
SCHEMBL10428777 0.81 SSTR5 (0.66) SSTR5EEDKCNH2NR4A2HRH1
SCHEMBL9629256 0.81 KCNH2 (0.46) SSTR5EEDKCNH2NR4A2HRH1

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
US-5151424-A Antiallergens or antihistamines JANSSEN PHARMACEUTICA N.V. (BE) 1992-09-29 US disclosed
EP-0297661-B1 [(Bicyclic heterocyclyl)methyl and -hetero] substituted hexahydro-1H-azepines and pyrrolidines JANSSEN PHARMACEUTICA N.V. (BE) 1992-09-16 EP disclosed
US-5071846-A Anti-hystaminic [(bicyclic heterocyclyl) methyl and --hetero] substituted hexahydro-1H-azepines and pyrrolidines JANSSEN PHARMACEUTICA N.V. (BE) 1991-12-10 US disclosed
US-4988689-A Antiallergens, antihistamines JANSSEN PHARMACEUTICA N.V. (BE) 1991-01-29 US disclosed
EP-0297661-A1 [(Bicyclic heterocyclyl)methyl and -hetero] substituted hexahydro-1H-azepines and pyrrolidines JANSSEN PHARMACEUTICA N.V. (BE) 1989-01-04 EP disclosed