Oxalic Acid

Oxalic Acid

SCHEMBL9538585

Fc1ccc(Cn2c(CC3CCN(CCNc4nc5cccnc5s4)CC3)nc3ccccc32)cc1.Fc1ccc(Cn2c(CC3CCN(CCNc4nc5cccnc5s4)CC3)nc3ccccc32)cc1.Fc1ccc(Cn2c(CC3CCN(CCNc4nc5cccnc5s4)CC3)nc3ccccc32)cc1.O=C(O)C(=O)O

nearest known ligand 0.43

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 12)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 1/20 0.43
SSTR5 P35346 2/20 0.43
MCHR1 Q99705 1/20 0.42
KCNH2 Q12809 5/20 0.42
NR4A2 P43354 1/20 0.42
HRH1 P35367 5/20 0.41
TACR2 P21452 1/20 0.41
TACR1 P25103 1/20 0.41
CYP2D6 P10635 4/20 0.41
TP53 P04637 1/20 0.41
CHRM1 P11229 2/20 0.41
POLB P06746 1/20 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 SCHEMBL9538589 1.00 SLC6A9 (0.43) SLC6A9SSTR5MCHR1KCNH2NR4A2
Oxalic Acid SCHEMBL9538823 0.87 SSTR5 (0.42) SSTR5MCHR1KCNH2NR4A2HRH1
Oxalic Acid SCHEMBL9538828 0.87 SSTR5 (0.42) SSTR5MCHR1KCNH2NR4A2HRH1
Oxalic Acid SCHEMBL10803978 0.85 SLC6A9 (0.45) SLC6A9SSTR5KCNH2NR4A2HRH1
Oxalic Acid SCHEMBL9538790 0.85 SLC6A9 (0.45) SLC6A9SSTR5KCNH2NR4A2HRH1
Oxalic Acid SCHEMBL10798151 0.84 TP53 (0.46) SSTR5MCHR1KCNH2NR4A2HRH1
Oxalic Acid SCHEMBL10798146 0.84 TP53 (0.46) SSTR5MCHR1KCNH2NR4A2HRH1
Oxalic Acid SCHEMBL10552513 0.83 SSTR5 (0.51) SSTR5MCHR1KCNH2NR4A2HRH1
SCHEMBL9536807 0.83 SSTR5 (0.50) SSTR5KCNH2NR4A2HRH1TACR2
SCHEMBL9539913 0.83 RAB9A (0.45) SSTR5MCHR1KCNH2NR4A2HRH1

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