Fumaric Acid

Fumaric Acid

SCHEMBL6299304

CCCC[C@H]1CN(c2cc(F)cc3ccoc23)CCN1.O=C(O)/C=C/C(=O)O

nearest known ligand 0.48

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 10)

geneUniProtsupporting neighboursconfidence
HTR2C known ✓ P28335 1/20 0.34
SLC6A2 known ✓ P23975 1/20 0.33
SLC6A4 known ✓ P31645 1/20 0.33
ADRB1 known ✓ P08588 1/20 0.31
REN known ✓ P00797 1/20 0.30
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
XIAP P98170 1/20 0.30

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 SCHEMBL6299307 1.00 HTR2C (0.34) HTR2CSLC6A2SLC6A4KDM4EALDH1A1
Fumaric Acid SCHEMBL6305107 0.94 HTR2C (0.35) HTR2CSLC6A2SLC6A4KDM4EALDH1A1
Fumaric Acid SCHEMBL6305108 0.94 HTR2C (0.35) HTR2CSLC6A2SLC6A4KDM4EALDH1A1
Fumaric Acid SCHEMBL6298202 0.85 CA1 (0.39) HTR2CSLC6A2KDM4EALDH1A1GAA
Fumaric Acid SCHEMBL6298203 0.85 CA1 (0.39) HTR2CSLC6A2KDM4EALDH1A1GAA
Fumaric Acid SCHEMBL6298308 0.81 GYS1 (0.36) SLC6A2KDM4EALDH1A1GAAMAPT
Fumaric Acid SCHEMBL6298310 0.81 GYS1 (0.36) SLC6A2KDM4EALDH1A1GAAMAPT
Fumaric Acid SCHEMBL6299334 0.81 PRKCQ (0.36) HTR2CSLC6A2SLC6A4KDM4EALDH1A1
Fumaric Acid SCHEMBL6299337 0.81 PRKCQ (0.36) HTR2CSLC6A2SLC6A4KDM4EALDH1A1
Fumaric Acid SCHEMBL6305315 0.78 ADRB1 (0.33) KDM4EALDH1A1GAAMAPTADRB1

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