Fumaric Acid

Fumaric Acid

SCHEMBL6589809

CC(C)=CCCN1CCC(NC(=O)C(O)(c2ccc(F)cc2)C2CCCC2)CC1.O=C(O)/C=C/C(=O)O

nearest known ligand 0.78

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 3)

geneUniProtsupporting neighboursconfidence
CHRM2 known ✓ P08172 17/20 0.78
CHRM3 known ✓ P20309 17/20 0.78
CHRM1 P11229 17/20 0.78

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 SCHEMBL6589820 1.00 CHRM2 (0.78) CHRM2CHRM1CHRM3
SCHEMBL6590099 0.95 CHRM2 (0.82) CHRM2CHRM1CHRM3
SCHEMBL6589599 0.94 CHRM2 (0.79) CHRM2CHRM1CHRM3
Fumaric Acid SCHEMBL6587545 0.92 CHRM2 (0.93) CHRM2CHRM1CHRM3
Fumaric Acid SCHEMBL6587535 0.92 CHRM2 (0.93) CHRM2CHRM1CHRM3
Fumaric Acid SCHEMBL27496757 0.92 CHRM2 (0.93) CHRM2CHRM1CHRM3
Fumaric Acid SCHEMBL6589985 0.90 CHRM2 (0.89) CHRM2CHRM1CHRM3
Fumaric Acid SCHEMBL27482727 0.90 CHRM2 (0.89) CHRM2CHRM1CHRM3
Fumaric Acid SCHEMBL6589977 0.90 CHRM2 (0.89) CHRM2CHRM1CHRM3
SCHEMBL508756 0.88 CHRM2 (1.00) CHRM2CHRM1CHRM3

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
EP-0823423-B1 1,4-DISUBSTITUTED PIPERIDINE DERIVATIVES BANYU PHARMA CO LTD (JP) 2004-06-16 EP disclosed
CN-1188471-A 1,4-disubstituted piepridine derivatives BANYU PHARMA CO LTD (JP) 1998-07-22 CN disclosed
US-5750540-A SIDE EFFECT REDUCTION BANYU PHARMACEUTICAL CO., LTD. (JP) 1998-05-12 US disclosed
EP-0823423-A1 1,4-DISUBSTITUTED PIPERIDINE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 1998-02-11 EP disclosed