Fumaric Acid

Fumaric Acid

SCHEMBL7990174

CC1SC(C)(C)C(=O)N1CCCCN1CCC(c2csc3ccccc23)CC1.O=C(O)C=CC(=O)O

nearest known ligand 0.53

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 11)

geneUniProtsupporting neighboursconfidence
DRD2 known ✓ P14416 3/20 0.51
SLC6A4 known ✓ P31645 1/20 0.51
HTR2A known ✓ P28223 3/20 0.49
HTR1A known ✓ P08908 2/20 0.38
DRD4 P21917 3/20 0.49
CHRM4 P08173 1/20 0.41
TAAR1 Q96RJ0 1/20 0.38
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
CCR2 P41597 1/20 0.36
DRD3 P35462 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
Maleic Acid SCHEMBL7990173 1.00 DRD2 (0.51) DRD2SLC6A4HTR2ADRD4CHRM4
Maleic Acid SCHEMBL9038026 0.82 DRD2 (0.50) DRD2SLC6A4HTR2ADRD4HTR1A
Fumaric Acid SCHEMBL9038029 0.82 DRD2 (0.50) DRD2SLC6A4HTR2ADRD4HTR1A
SCHEMBL9037333 0.74 DRD2 (0.57) DRD2SLC6A4HTR2ADRD4HTR1A
Hydrochloric Acid SCHEMBL7989995 0.73 DRD2 (0.56) DRD2SLC6A4HTR2ADRD4HTR1A
SCHEMBL7993011 0.73 DRD2 (0.58) DRD2SLC6A4HTR2ADRD4CHRM4
SCHEMBL3122425 0.72 DRD2 (0.66) DRD2SLC6A4HTR2ACHRM4HTR1A
Maleic Acid SCHEMBL8671967 0.72 DRD2 (0.46) DRD2SLC6A4DRD4CHRM4TAAR1
SCHEMBL3122433 0.71 SLC6A4 (0.70) DRD2SLC6A4CHRM4HTR1A
SCHEMBL6707211 0.71 DRD2 (0.63) DRD2SLC6A4HTR2AHTR1ADRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6284775-B1 PSYCHOLOGICAL DISORDERS AVENTIS PHARMACEUTICALS INC. 2001-09-04 US disclosed
EP-0699675-A2 3-(4-(1-Substituted-4-piperazinyl)butyl)-4-thiazolidinone and related compounds HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1996-03-06 EP disclosed