Oxalic Acid

Oxalic Acid

SCHEMBL5778359

CCCCN1CCC(n2c(=O)n(CCCC)c3ccccc32)CC1.O=C(O)C(=O)O

nearest known ligand 0.68

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 14)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 known ✓ P35372 5/20 0.55
▸ CACNA1G O43497 4/20 0.68
▸ CACNA1H O95180 4/20 0.68
▸ KDM4E B2RXH2 1/20 0.66
▸ ALDH1A1 P00352 1/20 0.66
▸ PMP22 Q01453 1/20 0.66
▸ NPSR1 Q6W5P4 1/20 0.66
▸ OPRL1 P41146 7/20 0.58
▸ CYP2D6 P10635 2/20 0.57
▸ CYP2C9 P11712 1/20 0.57
▸ TACR1 P25103 1/20 0.55
▸ OPRK1 P41145 1/20 0.53
▸ CHRM1 P11229 1/20 0.52
▸ CYP3A4 P08684 2/20 0.51

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
SCHEMBL5774737 0.94 CACNA1G (0.72) CACNA1GCACNA1HKDM4EALDH1A1PMP22
SCHEMBL24708739 0.88 CACNA1G (0.89) CACNA1GCACNA1HKDM4EALDH1A1PMP22
SCHEMBL24709556 0.88 CACNA1G (0.89) CACNA1GCACNA1HKDM4EALDH1A1PMP22
SCHEMBL24708724 0.81 CACNA1G (1.00) CACNA1GCACNA1HOPRL1CYP2D6OPRM1
SCHEMBL30079694 0.81 CACNA1G (1.00) CACNA1GCACNA1HOPRL1CYP2D6OPRM1
SCHEMBL24709347 0.80 CACNA1G (0.98) CACNA1GCACNA1HOPRL1CYP2D6CYP3A4
SCHEMBL24708803 0.80 CACNA1G (0.98) CACNA1GCACNA1HOPRL1CYP2D6CYP3A4
SCHEMBL24709558 0.80 CACNA1G (0.98) CACNA1GCACNA1HOPRL1CYP2D6CYP3A4
SCHEMBL24708721 0.80 CACNA1G (0.69) CACNA1GCACNA1HKDM4EALDH1A1OPRL1
SCHEMBL24709104 0.80 CACNA1G (0.98) CACNA1GCACNA1HOPRL1CYP2D6CYP3A4

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-0898568-B1 1-(4-PIPERIDYL)-BENZIMIDAZOLES HAVING NEUROTROPHIC ACTIVITY NEUROSEARCH AS (DK) 2006-10-04 — — EP disclosed
US-6180649-B1 NERVOUS SYSTEM DISORDERS; ALZHEIMER'S, HUNTINGTON, PARKINSON DISEASE NEROSEARCH A/S (DK) 2001-01-30 — — US disclosed
EP-0898568-A1 1-(4-PIPERIDYL)-BENZIMIDAZOLES HAVING NEUROTROPHIC ACTIVITY NEUROSEARCH A/S (DK) 1999-03-03 — — EP disclosed
WO-1997040035-A1 1-(4-PIPERIDYL)-BENZIMIDAZOLES HAVING NEUROTROPHIC ACTIVITY NEUROSEARCH A/S (DK) 1997-10-30 — — WO disclosed
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