Oxalic Acid

Oxalic Acid

SCHEMBL7475838

CCC(=O)Nc1c(C)cc(C(=O)N2CCC(N(C)CCc3ccccc3)CC2)cc1CO.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 17)

geneUniProtsupporting neighboursconfidence
OPRM1 known ✓ P35372 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.42
ABL1 P00519 2/20 0.39
RIN1 Q13671 2/20 0.39
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
GRIN2B Q13224 1/20 0.37
OPRD1 P41143 1/20 0.36
MCHR1 Q99705 2/20 0.36
NPBWR1 P48145 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HTT P42858 1/20 0.36
DRD4 P21917 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35

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
SCHEMBL2831451 0.91 L3MBTL1 (0.44) L3MBTL1ABL1RIN1MEN1KMT2A
Hydrochloric Acid SCHEMBL7469382 0.90 L3MBTL1 (0.44) L3MBTL1ABL1RIN1MEN1KMT2A
Hydrochloric Acid SCHEMBL4020264 0.90 L3MBTL1 (0.43) L3MBTL1ABL1RIN1MEN1KMT2A
SCHEMBL7475845 0.89 L3MBTL1 (0.42) L3MBTL1ABL1RIN1MEN1KMT2A
Hydrochloric Acid SCHEMBL7470582 0.86 L3MBTL1 (0.41) L3MBTL1ABL1RIN1MEN1KMT2A
Piperidine SCHEMBL7470820 0.85 L3MBTL1 (0.42) L3MBTL1ABL1RIN1MEN1KMT2A
Hydrochloric Acid SCHEMBL7475741 0.84 L3MBTL1 (0.40) L3MBTL1ABL1RIN1MEN1KMT2A
SCHEMBL7466257 0.83 ABL1 (0.44) L3MBTL1ABL1RIN1MEN1KMT2A
SCHEMBL27675909 0.81 L3MBTL1 (0.44) L3MBTL1ABL1RIN1MEN1KMT2A
Hydrochloric Acid SCHEMBL7470813 0.80 L3MBTL1 (0.42) L3MBTL1ABL1RIN1MEN1KMT2A

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-0650476-B1 PERIPHERAL VASODILATING AGENT CONTAINING N-ACYLATED 4-AMINO PIPERIDINE DERIVATIVES AS ACTIVE INGREDIENTS OTSUKA PHARMA CO LTD (JP) 2002-06-26 EP disclosed
US-6136826-A AMINOPIPERIDINE COMPOUNDS SUBSTITUTED WITH ALKANOYL OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2000-10-24 US disclosed
US-5656642-A Peripheral vasodilating agent containing piperidine derivative as active ingredient OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1997-08-12 US disclosed
WO-1994022826-A1 PERIPHERAL VASODILATING AGENT CONTAINING N-ACYLATED 4-AMINO PIPERIDINE DERIVATIVES AS ACTIVE INGREDIENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-10-13 WO disclosed