Fumaric Acid

Fumaric Acid

SCHEMBL6298071

C[C@H]1CNCCN1c1cc(F)c(F)c2ccoc12.O=C(O)/C=C/C(=O)O

nearest known ligand 0.39

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 14)

geneUniProtsupporting neighboursconfidence
HTR2C known ✓ P28335 5/20 0.33
HTR2B known ✓ P41595 2/20 0.32
HTR2A known ✓ P28223 1/20 0.32
SLC6A2 known ✓ P23975 1/20 0.32
RAD52 P43351 1/20 0.34
LATS1 O95835 1/20 0.34
BRPF1 P55201 3/20 0.33
BRD1 O95696 2/20 0.33
BRD4 O60885 1/20 0.33
BRPF3 Q9ULD4 1/20 0.33
DPP4 P27487 1/20 0.32
GYS1 P13807 2/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31

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 SCHEMBL6298072 1.00 RAD52 (0.34) RAD52LATS1HTR2CBRPF1BRD1
Fumaric Acid SCHEMBL6299327 0.90 SLC6A2 (0.34) RAD52LATS1HTR2CBRPF1BRD1
Fumaric Acid SCHEMBL6299325 0.90 SLC6A2 (0.34) RAD52LATS1HTR2CBRPF1BRD1
Fumaric Acid SCHEMBL6299113 0.85 LATS1 (0.35) RAD52LATS1HTR2CBRPF1BRD1
Fumaric Acid SCHEMBL6299115 0.85 LATS1 (0.35) RAD52LATS1HTR2CBRPF1BRD1
Fumaric Acid SCHEMBL6299546 0.82 KDM4E (0.38) CYP3A4
Fumaric Acid SCHEMBL6299549 0.82 KDM4E (0.38) CYP3A4
Fumaric Acid SCHEMBL6297992 0.81 HTR2C (0.51) HTR2CHTR2BHTR2ASLC6A2
Fumaric Acid SCHEMBL6297994 0.81 HTR2C (0.51) HTR2CHTR2BHTR2ASLC6A2
Fumaric Acid SCHEMBL6299353 0.80 HTR2C (0.35) LATS1HTR2CBRPF1BRD1BRD4

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