Fumaric Acid

Fumaric Acid

SCHEMBL9356803

CN1CCC(OC(c2ccc(F)cc2)c2ccc(F)cc2)CC1.O=C(O)/C=C/C(=O)O

nearest known ligand 0.77

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 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 known ✓ P23975 3/20 0.59
CHRM2 known ✓ P08172 2/20 0.59
KCNH2 known ✓ Q12809 1/20 0.59
HRH1 known ✓ P35367 1/20 0.52
SLC6A4 known ✓ P31645 1/20 0.52
DRD2 known ✓ P14416 1/20 0.51
CHRM3 known ✓ P20309 1/20 0.51
HTR2A known ✓ P28223 1/20 0.51
CHRM1 P11229 4/20 0.59
SLC6A3 Q01959 4/20 0.59
DRD3 P35462 3/20 0.59
CYP2D6 P10635 2/20 0.59
ADRA2A P08913 2/20 0.59
HTR1A P08908 1/20 0.59
DRD1 P21728 1/20 0.59
ADRA1A P35348 1/20 0.59
OPRM1 P35372 1/20 0.59
HRH3 Q9Y5N1 1/20 0.59
MAPK1 P28482 1/20 0.58
CYP1A2 P05177 1/20 0.52

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 SCHEMBL9356810 1.00 CHRM1 (0.59) CHRM1SLC6A3SLC6A2DRD3CYP2D6
Fumaric Acid SCHEMBL9353092 0.88 SLC6A3 (0.61) CHRM1SLC6A3SLC6A2DRD3CYP2D6
Fumaric Acid SCHEMBL9353088 0.88 SLC6A3 (0.61) CHRM1SLC6A3SLC6A2DRD3CYP2D6
SCHEMBL9673190 0.85 CHRM1 (0.82) CHRM1SLC6A3SLC6A2DRD3CYP2D6
Maleic Acid SCHEMBL9353012 0.85 SLC6A3 (0.68) CHRM1SLC6A3SLC6A2DRD3CYP2D6
Hydrochloric Acid SCHEMBL9357212 0.84 MAPK1 (0.83) CHRM1SLC6A3SLC6A2DRD3CYP2D6
Fumaric Acid SCHEMBL9357093 0.82 CHRM2 (0.64) CHRM1SLC6A3SLC6A2DRD3CYP2D6
Fumaric Acid SCHEMBL11257168 0.80 HRH1 (0.56) CHRM1HRH3HRH1CHRM3
Fumaric Acid SCHEMBL11257173 0.80 HRH1 (0.56) CHRM1HRH3HRH1CHRM3
Fumaric Acid SCHEMBL9356787 0.79 DRD3 (0.62) CHRM1SLC6A3SLC6A2DRD3CYP2D6

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0399414-B1 Piperidine derivative, method for preparation thereof, and a pharmaceutical composition comprising the same HOKURIKU PHARMACEUTICAL (JP) 1994-09-21 EP disclosed
US-5153207-A Antihistamine and antiallergic agent HOKURIKU PHARMACEUTICAL CO., LTD. (JP) 1992-10-06 US disclosed
EP-0399414-A1 Piperidine derivative, method for preparation thereof, and a pharmaceutical composition comprising the same HOKURIKU PHARMACEUTICAL CO., LTD. (JP) 1990-11-28 EP disclosed