Fumaric Acid

Fumaric Acid

SCHEMBL9718059

CCN1CCCC1CNC(=O)c1cc(NC(C)=O)cc2c1OCC2.O=C(O)C=CC(=O)O

nearest known ligand 0.67

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ACEADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ATP4AATP4BAXLBTKCACNA1CCACNA1DCACNA1FCACNA1SCCR5CHRM2CHRM3CPT1BCPT2DPP4DRD1DRD2EGFRERBB2ERBB4FLT3HRH1HRH3HTR1AHTR2AHTR2BHTR2CHTR4JAK1JAK2JAK3KCNH2KMT2AMAP2K1MAP2K2MEN1MLNRMPLMTORPPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PLK4PPARGRENS1PR1SLC6A2SLC6A3SLC6A4SMOTYK2atpAatpBatpCatpDatpEatpFatpFHatpGpol

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 1)

geneUniProtsupporting neighboursconfidence
DRD2 known ✓ P14416 4/20 0.53

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 SCHEMBL7267039 1.00 DRD2 (0.53) DRD2
Fumaric Acid SCHEMBL7266664 0.87 DRD2 (0.55) DRD2
Fumaric Acid SCHEMBL9718068 0.87 DRD2 (0.55) DRD2
SCHEMBL8785756 0.83 DRD2 (0.47) DRD2
SCHEMBL9718204 0.82 DRD2 (0.56) DRD2
SCHEMBL10424729 0.81 DRD2 (0.59) DRD2
Hydrochloric Acid SCHEMBL9718070 0.81 DRD2 (0.58) DRD2
SCHEMBL7272676 0.81 DRD2 (0.58) DRD2
Hydrochloric Acid SCHEMBL9406901 0.80 DRD2 (0.61) DRD2
Hydrochloric Acid SCHEMBL9406656 0.80 DRD2 (0.57) DRD2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5175173-A Reduced side effects SUN JUNG HUI (US) 1992-12-29 US disclosed
US-5126364-A Antiemetics, antipsychotics ERBAMONT, INC. (US) 1992-06-30 US disclosed
EP-0147044-B1 BENZOFURANCARBOXAMIDES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL PREPARATIONS CONTAINING THEM ADRIA LABORATORIES INC. (US) 1990-04-25 EP disclosed
US-4888353-A Carboxamides useful as antiemetic or antipsychotic agents ERBAMONT, INC. (US) 1989-12-19 US disclosed
EP-0147044-A2 Benzofurancarboxamides, process for their preparation and pharmaceutical preparations containing them ADRIA LABORATORIES INC. (US) 1985-07-03 EP disclosed