Fumaric Acid

Fumaric Acid

SCHEMBL7658673

CC(C)(C)c1nc(N2CCCN(CCCSc3nccc(O)n3)CC2)cc(C(F)(F)F)n1.O=C(O)C=CC(=O)O

nearest known ligand 0.59

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ACEADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ATP4AATP4BAXLBTKCACNA1CCACNA1DCACNA1FCACNA1SCCR5CHRM2CHRM3CPT1BCPT2DPP4DRD1DRD2EGFRERBB2ERBB4FLT3HRH1HRH3HTR1AHTR2AHTR2BHTR2CHTR4JAK1JAK2JAK3KCNH2KMT2AMAP2K1MAP2K2MEN1MLNRMPLMTORPPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PLK4PPARGRENS1PR1SLC6A2SLC6A3SLC6A4SMOTYK2atpAatpBatpCatpDatpEatpFatpFHatpGpol

The experimentally established mechanism targets of Fumaric Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
DRD2 known ✓ P14416 20/20 0.59
DRD3 P35462 20/20 0.59

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
Abt-925 SCHEMBL1078006 0.97 DRD2 (0.62) DRD2DRD3
Abt-925 SCHEMBL1078007 0.97 DRD2 (0.62) DRD2DRD3
Abt-925 SCHEMBL1043144 0.91 DRD2 (0.67) DRD2DRD3
Abt-925 SCHEMBL29462266 0.91 DRD2 (0.67) DRD2DRD3
Fumaric Acid SCHEMBL4392115 0.85 DRD2 (0.49) DRD2DRD3
Fumaric Acid SCHEMBL4392108 0.85 DRD2 (0.49) DRD2DRD3
Fumaric Acid SCHEMBL4397762 0.85 DRD2 (0.52) DRD2DRD3
Fumaric Acid SCHEMBL4397753 0.85 DRD2 (0.52) DRD2DRD3
Fumaric Acid SCHEMBL1044942 0.84 DRD2 (0.46) DRD2DRD3
Fumaric Acid SCHEMBL27571134 0.84 DRD2 (0.46) DRD2DRD3

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
US-6352981-B1 TREAT DISORDERS WHICH RESPOND TO DOPAMINE D.SUB.3 LIGANDS SUCH AS SCHISTOSOMIASIS, SCHIZOPHRENIA, DEPRESSION, NEUROSES OR PSYCHOSES BASF AKTIENGESELLSCHAFT (DE) 2002-03-05 US disclosed