Oxalic Acid

Oxalic Acid

SCHEMBL9535975

C=CCN1CCC(Cc2nc3ccccc3n2Cc2ccc(F)cc2)CC1.C=CCN1CCC(Cc2nc3ccccc3n2Cc2ccc(F)cc2)CC1.O=C(O)C(=O)O

nearest known ligand 0.52

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 9)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.49
SSTR5 P35346 2/20 0.48
RAB9A P51151 1/20 0.48
HRH1 P35367 9/20 0.48
CYP2D6 P10635 7/20 0.48
KCNH2 Q12809 3/20 0.48
CHRM1 P11229 3/20 0.47
TACR2 P21452 1/20 0.45
TACR1 P25103 1/20 0.45

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 SCHEMBL9535983 1.00 TP53 (0.49) TP53SSTR5RAB9AHRH1CYP2D6
Oxalic Acid SCHEMBL10552513 0.86 SSTR5 (0.51) TP53SSTR5RAB9AHRH1CYP2D6
Hydrochloric Acid SCHEMBL9537718 0.85 TP53 (0.52) TP53SSTR5RAB9AHRH1CYP2D6
Oxalic Acid SCHEMBL10547004 0.85 TP53 (0.53) TP53SSTR5RAB9AHRH1CYP2D6
Oxalic Acid SCHEMBL9536322 0.85 TP53 (0.53) TP53SSTR5RAB9AHRH1CYP2D6
SCHEMBL9536543 0.84 SSTR5 (0.66) SSTR5RAB9AHRH1CYP2D6KCNH2
SCHEMBL9537797 0.83 RAB9A (0.57) SSTR5RAB9AHRH1CYP2D6KCNH2
SCHEMBL9537249 0.83 SCN9A (0.53) TP53SSTR5RAB9AHRH1CYP2D6
Oxalic Acid SCHEMBL9536567 0.82 HRH1 (0.47) TP53SSTR5HRH1CYP2D6KCNH2
Oxalic Acid SCHEMBL9536571 0.82 HRH1 (0.47) TP53SSTR5HRH1CYP2D6KCNH2

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