Fumaric Acid

Fumaric Acid

SCHEMBL7489724

Cc1ccnc(N2CCN(CCCCOc3cnn(C)c(=O)n3)CC2)n1.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 9)

geneUniProtsupporting neighboursconfidence
▸ DRD2 known ✓ P14416 2/20 0.37
▸ HRH3 Q9Y5N1 7/20 0.42
▸ MAOB P27338 3/20 0.39
▸ SLC6A7 Q99884 1/20 0.39
▸ DRD4 P21917 3/20 0.38
▸ DRD3 P35462 1/20 0.37
▸ HTR1A P08908 1/20 0.37
▸ SORD Q00796 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.36

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 SCHEMBL7490162 1.00 HRH3 (0.42) HRH3MAOBSLC6A7DRD4DRD2
Fumaric Acid SCHEMBL7488578 0.90 HRH3 (0.41) HRH3MAOBDRD4DRD2DRD3
Fumaric Acid SCHEMBL7488585 0.90 HRH3 (0.41) HRH3MAOBDRD4DRD2DRD3
Fumaric Acid SCHEMBL7492264 0.90 HRH3 (0.38) HRH3MAOBHTR1AKDM4E
Fumaric Acid SCHEMBL7492260 0.90 HRH3 (0.38) HRH3MAOBHTR1AKDM4E
Fumaric Acid SCHEMBL7488718 0.87 HRH3 (0.49) HRH3MAOBDRD4DRD2DRD3
Fumaric Acid SCHEMBL7488720 0.87 HRH3 (0.49) HRH3MAOBDRD4DRD2DRD3
SCHEMBL7484406 0.82 HRH3 (0.42) HRH3MAOBDRD2DRD3HTR1A
SCHEMBL7485995 0.81 HTR1A (0.54) HRH3MAOBDRD2DRD3HTR1A
SCHEMBL7488037 0.81 HTR1A (0.53) HRH3MAOBDRD2DRD3HTR1A

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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