Oxalic Acid

Oxalic Acid

SCHEMBL9538828

Fc1ccc(Cn2c(CC3CCN(CCNc4nc5cnccc5s4)CC3)nc3ccccc32)cc1.O=C(O)C(=O)O.O=C(O)C(=O)O.O=C(O)C(=O)O

nearest known ligand 0.42

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 10)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 2/20 0.42
MCHR1 Q99705 1/20 0.41
HRH1 P35367 7/20 0.41
CYP2D6 P10635 6/20 0.41
KCNH2 Q12809 4/20 0.41
NR4A2 P43354 1/20 0.41
TACR2 P21452 1/20 0.40
TACR1 P25103 1/20 0.40
TP53 P04637 1/20 0.40
CHRM1 P11229 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
Oxalic Acid SCHEMBL9538823 1.00 SSTR5 (0.42) SSTR5MCHR1HRH1CYP2D6KCNH2
SCHEMBL10803135 0.96 SSTR5 (0.44) SSTR5MCHR1HRH1CYP2D6KCNH2
Oxalic Acid SCHEMBL9538589 0.87 SLC6A9 (0.43) SSTR5MCHR1HRH1CYP2D6KCNH2
Oxalic Acid SCHEMBL9538585 0.87 SLC6A9 (0.43) SSTR5MCHR1HRH1CYP2D6KCNH2
Oxalic Acid SCHEMBL10798146 0.83 TP53 (0.46) SSTR5MCHR1HRH1CYP2D6KCNH2
Oxalic Acid SCHEMBL10798151 0.83 TP53 (0.46) SSTR5MCHR1HRH1CYP2D6KCNH2
SCHEMBL9740311 0.82 SSTR5 (0.62) SSTR5HRH1CYP2D6KCNH2NR4A2
Oxalic Acid SCHEMBL10552513 0.82 SSTR5 (0.51) SSTR5MCHR1HRH1CYP2D6KCNH2
Oxalic Acid SCHEMBL9537337 0.82 ENPP2 (0.44) SSTR5KCNH2TP53
Oxalic Acid SCHEMBL9537334 0.82 ENPP2 (0.44) SSTR5KCNH2TP53

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
EP-0151826-B1 4-[(Bicyclic heterocyclyl)-methyl and -hetero]-piperidines JANSSEN PHARMACEUTICA N.V. (BE) 1993-03-31 EP disclosed
US-4839374-A TREATING ALLERGIES JANSSEN PHARMACEUTICA, N.V. (BE) 1989-06-13 US disclosed
EP-0151826-A1 4-[(Bicyclic heterocyclyl)-methyl and -hetero]-piperidines JANSSEN PHARMACEUTICA N.V. (BE) 1985-08-21 EP disclosed