Fumaric Acid

Fumaric Acid

SCHEMBL7491120

COc1ccc(Cl)cc1N1CCN(CCCCOc2cnn(C)c(=O)n2)CC1.O=C(O)/C=C/C(=O)O

nearest known ligand 0.49

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 12)

geneUniProtsupporting neighboursconfidence
▸ DRD2 known ✓ P14416 1/20 0.45
▸ MEN1 known ✓ O00255 2/20 0.44
▸ KMT2A known ✓ Q03164 2/20 0.44
▸ ADRA1D P25100 11/20 0.49
▸ ADRA1A P35348 11/20 0.49
▸ ADRA1B P35368 11/20 0.49
▸ HTR1A P08908 6/20 0.49
▸ HTR7 P34969 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45
▸ DRD3 P35462 1/20 0.45

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 SCHEMBL7491974 1.00 ADRA1D (0.49) ADRA1DADRA1AADRA1BHTR1AHTR7
Fumaric Acid SCHEMBL7493172 0.85 HTR1A (0.53) HTR1AHTR7DRD2DRD3
Fumaric Acid SCHEMBL7488619 0.85 HTR1A (0.53) HTR1AHTR7DRD2DRD3
Fumaric Acid SCHEMBL7491977 0.82 DRD2 (0.45) ADRA1DADRA1AADRA1BHTR1AHTR7
Fumaric Acid SCHEMBL7491971 0.82 DRD2 (0.45) ADRA1DADRA1AADRA1BHTR1AHTR7
SCHEMBL14761486 0.81 DRD2 (0.60) ADRA1DADRA1AADRA1BHTR1AHTR7
Fumaric Acid SCHEMBL7488585 0.80 HRH3 (0.41) HTR1AKDM4EALDH1A1TDP1DRD2
Fumaric Acid SCHEMBL7488578 0.80 HRH3 (0.41) HTR1AKDM4EALDH1A1TDP1DRD2
Fumaric Acid SCHEMBL7492264 0.79 HRH3 (0.38) HTR1AKDM4E
Fumaric Acid SCHEMBL7492260 0.79 HRH3 (0.38) HTR1AKDM4E

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-1023287-B1 3-OXO-2(H)-1,2,4-TRIAZINE DERIVATIVES AS LIGANDS OF 5HT1A RECEPTORS PF MEDICAMENT (FR) 2002-06-12 — — EP claimed
US-6303603-B1 FOR THEARPY OF ANXIETY, DEPRESSION, SCHIZOPHRENIA PIERRE FABRE MEDICAMENT (FR) 2001-10-16 — — US claimed
EP-1023287-B1 3-OXO-2(H)-1,2,4-TRIAZINE DERIVATIVES AS LIGANDS OF 5HT1A RECEPTORS PF MEDICAMENT (FR) 2002-06-12 — — EP disclosed
US-6303603-B1 FOR THEARPY OF ANXIETY, DEPRESSION, SCHIZOPHRENIA PIERRE FABRE MEDICAMENT (FR) 2001-10-16 — — US disclosed
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