Fumaric Acid

Fumaric Acid

SCHEMBL9304827

CC(C)Oc1ccccc1N1CCN(Cc2ccc(C(=O)N3CCCCC3)s2)CC1.O=C(O)/C=C/C(=O)O

nearest known ligand 0.89

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 7)

geneUniProtsupporting neighboursconfidence
DRD2 known ✓ P14416 1/20 0.60
ADRA1D P25100 2/20 0.60
ADRA1A P35348 2/20 0.60
ADRA1B P35368 2/20 0.60
HTR1A P08908 1/20 0.60
HTR1B P28222 1/20 0.60
DRD3 P35462 1/20 0.60

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 SCHEMBL9304831 1.00 ADRA1D (0.60) ADRA1DADRA1AADRA1BHTR1ADRD2
SCHEMBL9305919 0.94 ADRA1D (0.66) ADRA1DADRA1AADRA1BHTR1ADRD2
SCHEMBL9305535 0.94 ADRA1D (0.66) ADRA1DADRA1AADRA1BHTR1ADRD2
Hydrochloric Acid SCHEMBL9307647 0.94 ADRA1D (0.65) ADRA1DADRA1AADRA1BHTR1ADRD2
SCHEMBL9305702 0.79 ADRA1D (0.70) ADRA1DADRA1AADRA1BHTR1ADRD2
SCHEMBL9305855 0.79 ADRA1D (0.70) ADRA1DADRA1AADRA1BHTR1ADRD2
Hydrochloric Acid SCHEMBL9304961 0.78 ADRA1D (0.69) ADRA1DADRA1AADRA1BHTR1ADRD2
SCHEMBL7646052 0.77 HTR1A (0.68) ADRA1DADRA1AADRA1BHTR1ADRD2
SCHEMBL9539641 0.77 HTR1A (0.80) ADRA1DADRA1AADRA1BHTR1ADRD2
Hydrochloric Acid SCHEMBL7648139 0.76 HTR1A (0.79) ADRA1DADRA1AADRA1BHTR1ADRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5332732-A Thiophene and pyridine antipsychotic agents MCNEILAB, INC. (US) 1994-07-26 US disclosed