Fumaric Acid

Fumaric Acid

SCHEMBL7487370

CCCn1ncc(OCCCCN2CCN(c3ncccn3)CC2)nc1=O.O=C(O)/C=C/C(=O)O

nearest known ligand 0.48

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 3/20 0.43
▸ HTR2A known ✓ P28223 1/20 0.41
▸ HTR1A P08908 3/20 0.48
▸ HRH3 Q9Y5N1 6/20 0.48
▸ MAOB P27338 4/20 0.44
▸ DRD4 P21917 3/20 0.42
▸ DRD3 P35462 1/20 0.41

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 SCHEMBL7489484 1.00 HTR1A (0.48) HTR1AHRH3MAOBDRD2DRD4
Fumaric Acid SCHEMBL7488718 0.86 HRH3 (0.49) HTR1AHRH3MAOBDRD2DRD4
Fumaric Acid SCHEMBL7488720 0.86 HRH3 (0.49) HTR1AHRH3MAOBDRD2DRD4
SCHEMBL7485995 0.80 HTR1A (0.54) HTR1AHRH3MAOBDRD2DRD3
SCHEMBL7488133 0.80 HTR1A (0.50) HTR1AHRH3DRD3
Fumaric Acid SCHEMBL7489724 0.79 HRH3 (0.42) HTR1AHRH3MAOBDRD2DRD4
Fumaric Acid SCHEMBL7490162 0.79 HRH3 (0.42) HTR1AHRH3MAOBDRD2DRD4
SCHEMBL7488037 0.79 HTR1A (0.53) HTR1AHRH3MAOBDRD2DRD3
Fumaric Acid SCHEMBL7488585 0.79 HRH3 (0.41) HTR1AHRH3MAOBDRD2DRD4
Fumaric Acid SCHEMBL7488578 0.79 HRH3 (0.41) HTR1AHRH3MAOBDRD2DRD4

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 7 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-A1 3-OXO-2(H)-1,2,4-TRIAZINE DERIVATIVES AS LIGANDS OF 5HT1A RECEPTORS PIERRE FABRE MEDICAMENT (FR) 2000-08-02 — — EP claimed
WO-1999020622-A1 3-OXO-2(H)-1,2,4-TRIAZINE DERIVATIVES AS LIGANDS OF 5HT1A RECEPTORS PIERRE FABRE MEDICAMENT (FR) 1999-04-29 — — WO 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
EP-1023287-A1 3-OXO-2(H)-1,2,4-TRIAZINE DERIVATIVES AS LIGANDS OF 5HT1A RECEPTORS PIERRE FABRE MEDICAMENT (FR) 2000-08-02 — — EP disclosed
WO-1999020622-A1 3-OXO-2(H)-1,2,4-TRIAZINE DERIVATIVES AS LIGANDS OF 5HT1A RECEPTORS PIERRE FABRE MEDICAMENT (FR) 1999-04-29 — — WO disclosed
Send feedback