Oxalic Acid

Oxalic Acid

SCHEMBL28548418

CN1CCC(NCc2ccc(F)cc2)CC1.O=C(O)C(=O)O

nearest known ligand 0.58

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
OPRM1 known ✓ P35372 1/20 0.48
BCHE P06276 2/20 0.58
ACHE P22303 2/20 0.58
BACE1 P56817 2/20 0.58
HTR2A P28223 2/20 0.51
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
ABCB11 O95342 1/20 0.48
CYP1A2 P05177 1/20 0.48
ADRB2 P07550 1/20 0.48
CHRM2 P08172 1/20 0.48
CHRM1 P11229 1/20 0.48
DRD1 P21728 1/20 0.48
TBXA2R P21731 1/20 0.48
SLC6A2 P23975 1/20 0.48
HTR2C P28335 1/20 0.48
GPR183 P32249 1/20 0.48
CYP2C19 P33261 1/20 0.48
ADRA1A P35348 1/20 0.48
APLNR P35414 1/20 0.48

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
SCHEMBL970899 0.91 ACHE (0.62) BCHEACHEBACE1HTR2AMEN1
Water SCHEMBL22683358 0.90 ACHE (0.61) BCHEACHEBACE1HTR2AMEN1
Hydrochloric Acid SCHEMBL18587402 0.90 ACHE (0.61) BCHEACHEBACE1HTR2AMEN1
SCHEMBL20794625 0.89 BCHE (0.57) BCHEACHEBACE1HTR2AMEN1
SCHEMBL20794626 0.89 BCHE (0.57) BCHEACHEBACE1HTR2AMEN1
Piperazine SCHEMBL28117207 0.84 ACHE (0.56) BCHEACHEBACE1HTR2AMEN1
SCHEMBL5533747 0.83 DRD4 (0.50) BCHEACHEBACE1MEN1KMT2A
SCHEMBL3712791 0.83 ACHE (0.60) BCHEACHEBACE1MEN1KMT2A
SCHEMBL20794851 0.82 BCHE (0.60) BCHEACHEBACE1MEN1KMT2A
SCHEMBL13911887 0.82 BCHE (0.56) BCHEACHEBACE1KDM4EGAA

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106518751-B Method for preparing pimavanserin 江苏先声药业有限公司 2021-05-04 CN disclosed