SCHEMBL11113014

SCHEMBL11113014

CC1OCc2cccc(O)c2O1

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.42
MAOB P27338 2/20 0.42
OPRD1 P41143 2/20 0.40
DRD2 P14416 3/20 0.39
CHRM3 P20309 1/20 0.35
PARP1 P09874 3/20 0.34
DRD3 P35462 1/20 0.34

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
SCHEMBL11102648 0.78 DRD2 (0.37) MAOAMAOBOPRD1DRD2CHRM3
SCHEMBL8974576 0.76 CA2 (0.34)
SCHEMBL11112582 0.76 SLC6A2 (0.37) DRD2CHRM3DRD3
SCHEMBL11113792 0.76 PARP1 (0.34) MAOAMAOBPARP1
SCHEMBL5544997 0.74 MAOA (0.62) MAOAMAOBOPRD1DRD2CHRM3
SCHEMBL7079080 0.71 MAOA (0.46) MAOAMAOBDRD2CHRM3PARP1
SCHEMBL11113788 0.70 LMNA (0.54) CHRM3PARP1
SCHEMBL9904926 0.70 MAOA (0.41) MAOAMAOBDRD2CHRM3
SCHEMBL6465805 0.70
SCHEMBL17818432 0.69 CHRNB4 (0.41) MAOAMAOBOPRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0103173-A1 Carbamic-acid esters, process and starting material for their preparation, parasiticides containing these esters as active products, as well as the use of such esters and agents in combating parasites F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1984-03-21 EP disclosed