Oxalic Acid

Oxalic Acid

SCHEMBL9540023

COc1ccc(CCN2CCC(Cc3nc4ccccc4n3Cc3ccsc3)CC2)cc1.O=C(O)C(=O)O.O=C(O)C(=O)O

nearest known ligand 0.54

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 2/20 0.50
OPRM1 known ✓ P35372 1/20 0.50
HRH1 P35367 3/20 0.54
TACR2 P21452 2/20 0.54
TACR1 P25103 2/20 0.54
KCNH2 Q12809 7/20 0.50
EED O75530 2/20 0.50
TBXA2R P21731 2/20 0.50
HTR1A P08908 2/20 0.50
MEN1 O00255 1/20 0.50
MLNR O43193 1/20 0.50
CACNA1F O60840 1/20 0.50
USP2 O75604 1/20 0.50
ABCB11 O95342 1/20 0.50
EGFR P00533 1/20 0.50
LMNA P02545 1/20 0.50
HLA-A P04439 1/20 0.50
ERBB2 P04626 1/20 0.50
TP53 P04637 1/20 0.50
CYP1A2 P05177 1/20 0.50

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 SCHEMBL9540018 1.00 HRH1 (0.54) HRH1TACR2TACR1KCNH2EED
Oxalic Acid SCHEMBL9536090 0.85 HRH1 (0.52) HRH1TACR2TACR1KCNH2EED
Oxalic Acid SCHEMBL9536088 0.85 HRH1 (0.52) HRH1TACR2TACR1KCNH2EED
Oxalic Acid SCHEMBL10548091 0.84 TACR2 (0.53) HRH1TACR2TACR1KCNH2EED
Oxalic Acid SCHEMBL10548095 0.84 TACR2 (0.53) HRH1TACR2TACR1KCNH2EED
Oxalic Acid SCHEMBL9538776 0.84 TACR2 (0.53) HRH1TACR2TACR1KCNH2EED
Hydrochloric Acid SCHEMBL9537707 0.83 KCNH2 (0.58) HRH1TACR2TACR1KCNH2EED
SCHEMBL9540175 0.83 KCNH2 (0.71) HRH1TACR2TACR1KCNH2EED
Hydrochloric Acid SCHEMBL10798502 0.82 KCNH2 (0.57) HRH1TACR2TACR1KCNH2EED
Hydrochloric Acid SCHEMBL10550355 0.82 KCNH2 (0.50) HRH1TACR2TACR1KCNH2EED

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-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
US-4695575-A ANTIHISTAMINES JANSSEN PHARMACEUTICA, N.V. (BE) 1987-09-22 US disclosed
EP-0151826-A1 4-[(Bicyclic heterocyclyl)-methyl and -hetero]-piperidines JANSSEN PHARMACEUTICA N.V. (BE) 1985-08-21 EP disclosed