Fumaric Acid

Fumaric Acid

SCHEMBL6297992

C[C@H]1CNCCN1c1ccc(C(F)(F)F)c2ccoc12.O=C(O)/C=C/C(=O)O

nearest known ligand 0.51

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ADRB1ADRB2ATP4AATP4BAXLCHRM2CHRM3DRD2FLT3HRH1HTR2AHTR2BHTR2CKCNH2KMT2AMAP2K1MAP2K2MEN1MLNRPLK4RENS1PR1SLC6A2SLC6A4atpAatpBatpCatpDatpEatpFatpFHatpGpol

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 7)

geneUniProtsupporting neighboursconfidence
HTR2C known ✓ P28335 10/20 0.51
SLC6A2 known ✓ P23975 5/20 0.35
SLC6A4 known ✓ P31645 5/20 0.35
HTR2A known ✓ P28223 7/20 0.34
HTR2B known ✓ P41595 6/20 0.34
KCNH2 known ✓ Q12809 1/20 0.34
TACR1 P25103 1/20 0.33

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
Fumaric Acid SCHEMBL6297994 1.00 HTR2C (0.51) HTR2CSLC6A2SLC6A4HTR2AHTR2B
Fumaric Acid SCHEMBL6298072 0.81 RAD52 (0.34) HTR2CSLC6A2HTR2AHTR2B
Fumaric Acid SCHEMBL6298071 0.81 RAD52 (0.34) HTR2CSLC6A2HTR2AHTR2B
Fumaric Acid SCHEMBL6305370 0.80 XDH (0.38) HTR2CSLC6A2SLC6A4HTR2AHTR2B
Fumaric Acid SCHEMBL6305367 0.80 XDH (0.38) HTR2CSLC6A2SLC6A4HTR2AHTR2B
Fumaric Acid SCHEMBL6298247 0.80 XDH (0.38) HTR2CSLC6A2SLC6A4HTR2AHTR2B
Fumaric Acid SCHEMBL6298246 0.80 XDH (0.38) HTR2CSLC6A2SLC6A4HTR2AHTR2B
Fumaric Acid SCHEMBL6299327 0.80 SLC6A2 (0.34) HTR2CSLC6A2HTR2AHTR2B
Fumaric Acid SCHEMBL6299325 0.80 SLC6A2 (0.34) HTR2CSLC6A2HTR2AHTR2B
Fumaric Acid SCHEMBL6974122 0.79 HTR2C (0.82) HTR2CSLC6A2SLC6A4KCNH2

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-6967201-B1 for increasing activation of the 5-HT2C receptor in mammals; treatment of depression, obesity, bulimia, premenstrual syndrome, alcoholism, tobacco abuse, panic disorder ELI LILLY AND COMPANY (US) 2005-11-22 US disclosed
EP-1204654-B1 BENZOFURYLPIPERAZINES: 5-HT2C SEROTONIN RECEPTOR AGONISTS LILLY CO ELI (US) 2003-07-23 EP disclosed