Oxalic Acid

Oxalic Acid

SCHEMBL10323323

CC(C)Oc1ccc(CNC(=O)N(Cc2ccc(F)cc2)C2CCN(CCC3CCCN3C)CC2)cc1.O=C(O)C(=O)O

nearest known ligand 0.60

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 0.58
HTR2A P28223 20/20 0.60
HTR2C P28335 3/20 0.58
ABCB11 O95342 1/20 0.58
CYP1A2 P05177 1/20 0.58
ADRB2 P07550 1/20 0.58
CHRM2 P08172 1/20 0.58
CHRM1 P11229 1/20 0.58
DRD1 P21728 1/20 0.58
TBXA2R P21731 1/20 0.58
SLC6A2 P23975 1/20 0.58
GPR183 P32249 1/20 0.58
CYP2C19 P33261 1/20 0.58
ADRA1A P35348 1/20 0.58
APLNR P35414 1/20 0.58
DRD3 P35462 1/20 0.58
CX3CR1 P49238 1/20 0.58
SLC6A3 Q01959 1/20 0.58
KCNH2 Q12809 1/20 0.58
GPR65 Q8IYL9 1/20 0.58

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
SCHEMBL340281 0.98 HTR2A (0.61) HTR2AHTR2CABCB11CYP1A2ADRB2
SCHEMBL5450948 0.98 HTR2A (0.61) HTR2AHTR2CABCB11CYP1A2ADRB2
Oxalic Acid SCHEMBL10322859 0.88 HTR2A (0.60) HTR2AHTR2CABCB11CYP1A2ADRB2
Oxalic Acid SCHEMBL10323333 0.88 HTR2A (0.62) HTR2AHTR2CABCB11CYP1A2ADRB2
SCHEMBL340628 0.85 HTR2A (0.63) HTR2AHTR2CABCB11CYP1A2ADRB2
SCHEMBL341899 0.85 HTR2A (0.65) HTR2AHTR2CABCB11CYP1A2ADRB2
Oxalic Acid SCHEMBL10322197 0.85 HTR2A (0.59) HTR2AHTR2CABCB11CYP1A2ADRB2
Oxalic Acid SCHEMBL5927553 0.85 HTR2A (0.60) HTR2AHTR2CABCB11CYP1A2ADRB2
Oxalic Acid SCHEMBL10321897 0.84 HTR2A (0.56) HTR2AHTR2CABCB11CYP1A2ADRB2
Oxalic Acid SCHEMBL10321898 0.84 HTR2A (0.56) HTR2AHTR2CABCB11CYP1A2ADRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2983473-A2 PHARMACEUTICAL COMPOSITION COMPRISING AN AMPK ACTIVATOR AND A SEROTONERGIC AGENT AND METHODS OF USE THEREOF ALS Mountain Llc (US) 2016-02-17 EP claimed
US-20140350064-A1 PHARMACEUTICAL COMPOSITION COMPRISING AN AMPK ACTIVATOR AND A SEROTONERGIC AGENT AND METHODS OF USE THEREOF ALS MOUNTAIN LLC 2014-11-27 US claimed
WO-2014144130-A2 PHARMACEUTICAL COMPOSITION COMPRISING AN AMPK ACTIVATOR AND A SEROTONERGIC AGENT AND METHODS OF USE THEREOF ALS MOUNTAIN LLC (US) 2014-09-18 WO claimed
US-20120183600-A1 NOVEL COMPOSITION FOR TREATING METABOLIC SYNDROME AND OTHER CONDITIONS CHEN CHIEN-HUNG (US) 2012-07-19 US claimed
EP-2983473-A2 PHARMACEUTICAL COMPOSITION COMPRISING AN AMPK ACTIVATOR AND A SEROTONERGIC AGENT AND METHODS OF USE THEREOF ALS Mountain Llc (US) 2016-02-17 EP disclosed
US-20140350064-A1 PHARMACEUTICAL COMPOSITION COMPRISING AN AMPK ACTIVATOR AND A SEROTONERGIC AGENT AND METHODS OF USE THEREOF ALS MOUNTAIN LLC 2014-11-27 US disclosed
WO-2014144130-A2 PHARMACEUTICAL COMPOSITION COMPRISING AN AMPK ACTIVATOR AND A SEROTONERGIC AGENT AND METHODS OF USE THEREOF ALS MOUNTAIN LLC (US) 2014-09-18 WO disclosed
US-20120183600-A1 NOVEL COMPOSITION FOR TREATING METABOLIC SYNDROME AND OTHER CONDITIONS CHEN CHIEN-HUNG (US) 2012-07-19 US disclosed