Fumaric Acid

Fumaric Acid

SCHEMBL9735733

CC(C)c1cccc2c1OC(CN1CCC(c3noc4cc(F)ccc34)CC1)C2.O=C(O)/C=C/C(=O)O

nearest known ligand 0.52

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 6)

geneUniProtsupporting neighboursconfidence
HTR2A known ✓ P28223 11/20 0.51
DRD2 known ✓ P14416 10/20 0.51
HTR2C known ✓ P28335 1/20 0.51
KCNH2 known ✓ Q12809 6/20 0.49
HTR7 P34969 6/20 0.49
HTR1A P08908 1/20 0.48

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 SCHEMBL9735742 1.00 HTR2A (0.51) HTR2ADRD2HTR2CHTR7KCNH2
SCHEMBL9684515 0.93 HTR2A (0.56) HTR2ADRD2HTR2CHTR1A
SCHEMBL9683889 0.83 DRD2 (0.61) HTR2ADRD2HTR2CHTR1A
Fumaric Acid SCHEMBL1545969 0.81 ACHE (0.61) HTR2ADRD2HTR7KCNH2
Fumaric Acid SCHEMBL1545971 0.81 ACHE (0.61) HTR2ADRD2HTR7KCNH2
SCHEMBL9378325 0.81 DRD2 (0.61) HTR2ADRD2HTR2C
Fumaric Acid SCHEMBL9735299 0.81 HTR2A (0.73) HTR2ADRD2HTR2C
Fumaric Acid SCHEMBL9683252 0.81 HTR2A (0.73) HTR2ADRD2HTR2C
Fumaric Acid SCHEMBL1545316 0.78 ACHE (0.76) HTR2ADRD2HTR7KCNH2
Fumaric Acid SCHEMBL1545314 0.78 ACHE (0.76) HTR2ADRD2HTR7KCNH2

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-5100902-A Dopamine and Serotonin Antagonists, Antipsychotic Agents ADIR ET COMPAGNIE (FR) 1992-03-31 US disclosed