Fumaric Acid

Fumaric Acid

SCHEMBL6300318

Fc1c(Cl)cc(N2CCNCC2)c2occc12.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 16)

geneUniProtsupporting neighboursconfidence
ADRB1 known ✓ P08588 2/20 0.36
DRD2 known ✓ P14416 1/20 0.34
HRH4 Q9H3N8 1/20 0.38
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 1/20 0.37
CYP3A4 P08684 1/20 0.37
HSD17B10 Q99714 1/20 0.37
HTR6 P50406 1/20 0.36
NPSR1 Q6W5P4 2/20 0.34
LMNA P02545 1/20 0.34
PMP22 Q01453 1/20 0.34
TP53 P04637 1/20 0.34
MAPT P10636 1/20 0.34
MAPK1 P28482 1/20 0.34
AVPR1A P37288 1/20 0.34
DRD3 P35462 1/20 0.34

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 SCHEMBL6300321 1.00 HRH4 (0.38) HRH4ALDH1A1KDM4ECYP3A4HSD17B10
Fumaric Acid SCHEMBL6299549 0.89 KDM4E (0.38) HRH4ALDH1A1KDM4ECYP3A4HSD17B10
Fumaric Acid SCHEMBL6299546 0.89 KDM4E (0.38) HRH4ALDH1A1KDM4ECYP3A4HSD17B10
Fumaric Acid SCHEMBL6299233 0.74 HTR2C (0.53) ALDH1A1KDM4EHSD17B10LMNAPMP22
Fumaric Acid SCHEMBL6299232 0.74 HTR2C (0.53) ALDH1A1KDM4EHSD17B10LMNAPMP22
Fumaric Acid SCHEMBL6297988 0.74 HTR2C (0.35) HTR6
Oxalic Acid SCHEMBL6299258 0.74 HTR6 (0.41) ALDH1A1KDM4EHSD17B10HTR6NPSR1
Hydrochloric Acid SCHEMBL6300092 0.73 ADRB1 (0.40) ALDH1A1ADRB1DRD2DRD3
Fumaric Acid SCHEMBL6298071 0.72 RAD52 (0.34) CYP3A4
Fumaric Acid SCHEMBL6298072 0.72 RAD52 (0.34) CYP3A4

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 4 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
EP-1204654-A1 BENZOFURYLPIPERAZINES AND BENZOFURYLHOMOPIPERAZINES: SEROTONIN AGONISTS ELI LILLY AND COMPANY (US) 2002-05-15 EP disclosed
WO-2001009111-A1 BENZOFURYLPIPERAZINES AND BENZOFURYLHOMOPIPERAZINES: SEROTONIN AGONISTS ELI LILLY AND COMPANY (US) 2001-02-08 WO disclosed