SCHEMBL4027799

SCHEMBL4027799

Cc1cn(C)cc1OC(=O)Nc1ccccc1-c1cccc(F)c1

nearest known ligand 0.52

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 19/20 0.52
DRD2 P14416 1/20 0.44
DRD4 P21917 1/20 0.44
DRD3 P35462 1/20 0.44

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
SCHEMBL4023977 0.88 CHRM3 (0.50) CHRM3
SCHEMBL4033730 0.87 CHRM3 (0.52) CHRM3
SCHEMBL4026463 0.87 CHRM3 (0.52) CHRM3
SCHEMBL4027584 0.86 CHRM3 (0.50) CHRM3DRD2DRD4DRD3
SCHEMBL4026096 0.86 CHRM3 (0.52) CHRM3DRD2DRD4DRD3
SCHEMBL4024486 0.85 CHRM3 (0.56) CHRM3
SCHEMBL4031383 0.83 CHRM3 (0.48) CHRM3
SCHEMBL4030355 0.83 CHRM3 (0.52) CHRM3
SCHEMBL4027201 0.81 CHRM3 (0.49) CHRM3
SCHEMBL3045842 0.81 CHRM3 (0.48) CHRM3DRD2DRD4DRD3

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-1252140-B1 PYRROLECARBOXAMIDES AND PYRROLETHIOAMIDES AS FUNGICIDES SYNGENTA PARTICIPATIONS AG (CH) 2009-05-13 EP claimed