Fumaric Acid

Fumaric Acid

SCHEMBL6305367

C[C@H]1CNCCN1c1cc(C(F)(F)F)cc2ccoc12.O=C(O)/C=C/C(=O)O

nearest known ligand 0.38

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 11)

geneUniProtsupporting neighboursconfidence
HTR2C known ✓ P28335 4/20 0.35
HTR2A known ✓ P28223 3/20 0.35
HTR2B known ✓ P41595 3/20 0.35
SLC6A2 known ✓ P23975 2/20 0.33
SLC6A4 known ✓ P31645 2/20 0.33
XDH P47989 1/20 0.38
SLC22A12 Q96S37 1/20 0.38
TACR1 P25103 4/20 0.38
LATS1 O95835 1/20 0.35
FPR2 P25090 1/20 0.33
SCN9A Q15858 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 SCHEMBL6305370 1.00 XDH (0.38) XDHSLC22A12TACR1HTR2CHTR2A
Fumaric Acid SCHEMBL6298246 1.00 XDH (0.38) XDHSLC22A12TACR1HTR2CHTR2A
Fumaric Acid SCHEMBL6298247 1.00 XDH (0.38) XDHSLC22A12TACR1HTR2CHTR2A
Fumaric Acid SCHEMBL6299113 0.88 LATS1 (0.35) HTR2CHTR2BLATS1
Fumaric Acid SCHEMBL6299115 0.88 LATS1 (0.35) HTR2CHTR2BLATS1
Fumaric Acid SCHEMBL6304470 0.85 HTR2C (0.35) HTR2CHTR2AHTR2BLATS1
Fumaric Acid SCHEMBL6299355 0.85 HTR2C (0.35) HTR2CHTR2AHTR2BLATS1
Fumaric Acid SCHEMBL6299353 0.85 HTR2C (0.35) HTR2CHTR2AHTR2BLATS1
Fumaric Acid SCHEMBL6304471 0.85 HTR2C (0.35) HTR2CHTR2AHTR2BLATS1
Fumaric Acid SCHEMBL6298259 0.83 BRPF1 (0.38) HTR2CHTR2AHTR2BLATS1

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